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123551-47-3 molecular structure
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(2E,13Z)-octadeca-2,13-dien-1-ol

ChemBase ID: 175764
Molecular Formular: C18H34O
Molecular Mass: 266.46196
Monoisotopic Mass: 266.26096571
SMILES and InChIs

SMILES:
CCCC/C=C\CCCCCCCCC/C=C/CO
Canonical SMILES:
CCCC/C=C\CCCCCCCCC/C=C/CO
InChI:
InChI=1S/C18H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h5-6,16-17,19H,2-4,7-15,18H2,1H3/b6-5-,17-16+
InChIKey:
YCOMGIOWVNOOBC-RAPDCGKPSA-N

Cite this record

CBID:175764 http://www.chembase.cn/molecule-175764.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2E,13Z)-octadeca-2,13-dien-1-ol
IUPAC Traditional name
octadecan-2E,13Z-dien-1-ol
Synonyms
(2E,13Z)-2,13-Octadecadienol
(E,Z)-2,13-Octadecadien-1-ol
(2E,13Z)-Octadecadien-1-ol
CAS Number
123551-47-3
PubChem SID
164231674
PubChem CID
5283306

DATA SOURCES

DATA SOURCES

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Data Source Data ID
TRC O235470 external link Add to cart
PubChem 5283306 external link
Data Source Data ID Price
TRC
O235470 external link Add to cart Please log in.
Data Source Data ID
PubChem 5283306 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.081474  H Acceptors
H Donor LogD (pH = 5.5) 6.4613476 
LogD (pH = 7.4) 6.4613476  Log P 6.4613476 
Molar Refractivity 88.6281 cm3 Polarizability 34.089294 Å3
Polar Surface Area 20.23 Å2 Rotatable Bonds 14 
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - O235470 external link
Sex phermone produced by the female hornet moth, Sesia apiformis.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Takacs, S., et al.: Chemoecol., 11, 153 (2001)
  • • Islam, A., et al.: J. Chem. Ecol., 33, 1763 (2001)
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PATENTS

PATENTS

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INTERNET

INTERNET

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