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1540-80-3 molecular structure
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cyclotetradeca-1,8-diyne

ChemBase ID: 108523
Molecular Formular: C14H20
Molecular Mass: 188.3086
Monoisotopic Mass: 188.15650064
SMILES and InChIs

SMILES:
C1CCC#CCCCCCC#CCC1
Canonical SMILES:
C1CCC#CCCCCCC#CCC1
InChI:
InChI=1S/C14H20/c1-2-4-6-8-10-12-14-13-11-9-7-5-3-1/h1-5,10-14H2
InChIKey:
BVTCHBNCNJEJTD-UHFFFAOYSA-N

Cite this record

CBID:108523 http://www.chembase.cn/molecule-108523.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
cyclotetradeca-1,8-diyne
IUPAC Traditional name
cyclotetradeca-1,8-diyne
Synonyms
1,8-CYCLOTETRADECADIYNE
CAS Number
1540-80-3
PubChem SID
162095494
PubChem CID
137070

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
05207687 external link Add to cart Please log in.
Data Source Data ID
PubChem 137070 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.3933744  LogD (pH = 7.4) 5.3933744 
Log P 5.3933744  Molar Refractivity 63.1368 cm3
Polarizability 23.640125 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds 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

MP Biomedicals MP Biomedicals
MP Biomedicals - 05207687 external link
MP Biomedicals Rare Chemical collection

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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