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68820-37-1 molecular structure
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10-methylundecanal

ChemBase ID: 174553
Molecular Formular: C12H24O
Molecular Mass: 184.31836
Monoisotopic Mass: 184.18271539
SMILES and InChIs

SMILES:
C(CCCCCCCCC=O)(C)C
Canonical SMILES:
O=CCCCCCCCCC(C)C
InChI:
InChI=1S/C12H24O/c1-12(2)10-8-6-4-3-5-7-9-11-13/h11-12H,3-10H2,1-2H3
InChIKey:
TUMDWYVQVPWJDR-UHFFFAOYSA-N

Cite this record

CBID:174553 http://www.chembase.cn/molecule-174553.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
10-methylundecanal
IUPAC Traditional name
10-methylundecanal
Synonyms
10-Methylundecanal
CAS Number
68820-37-1
PubChem SID
164230463
PubChem CID
10932114

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC M338100 external link Add to cart
PubChem 10932114 external link
Data Source Data ID Price
TRC
M338100 external link Add to cart Please log in.
Data Source Data ID
PubChem 10932114 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.555514  H Acceptors
H Donor LogD (pH = 5.5) 4.1621423 
LogD (pH = 7.4) 4.1621423  Log P 4.1621423 
Molar Refractivity 57.7018 cm3 Polarizability 22.924746 Å3
Polar Surface Area 17.07 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

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 - M338100 external link
10-Methylundecanal is an intermediate used in the synthesis of Liposidomycin-B, a nucleoside antibiotic.

REFERENCES

REFERENCES

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  • • Kalyanakumar, R., et al.: Med. Chem., 35B, 356 (1996)
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PATENTS

PATENTS

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INTERNET

INTERNET

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