14-methylpentadeca-12,13-dien-1,7-diyne

C16H22 — CID 11117411

IUPAC14-methylpentadeca-12,13-dien-1,7-diyne
SMILESC#CCCCCC#CCCCC=C=C(C)C
InChIInChI=1S/C16H22/c1-4-5-6-7-8-9-10-11-12-13-14-15-16(2)3/h1,14H,5-8,11-13H2,2-3H3
InChIKeyJSHDJZMECOOAMK-UHFFFAOYSA-N
MW214.35 g/mol
LogP4.47
Rot. Bonds6

About 14-methylpentadeca-12,13-dien-1,7-diyne

14-methylpentadeca-12,13-dien-1,7-diyne (PubChem CID 11117411) has the molecular formula C16H22 and a molecular weight of 214.35 g/mol. Its IUPAC name is 14-methylpentadeca-12,13-dien-1,7-diyne.

Molecular Properties

Compound Name14-methylpentadeca-12,13-dien-1,7-diyne
PubChem CID11117411
Molecular FormulaC16H22
Molecular Weight214.35 g/mol
Exact Mass214.17
IUPAC Name14-methylpentadeca-12,13-dien-1,7-diyne
SMILESC#CCCCCC#CCCCC=C=C(C)C
InChIInChI=1S/C16H22/c1-4-5-6-7-8-9-10-11-12-13-14-15-16(2)3/h1,14H,5-8,11-13H2,2-3H3
InChIKeyJSHDJZMECOOAMK-UHFFFAOYSA-N
XLogP4.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

7-Methylene-undec-5-yne
CID 10866683
2-Methylhept-1-en-6-yne
CID 10396805
7-Methylocta-5,6-dien-1-yne
CID 91304438
5,6-Decadien-3-yne, 5,7-diethyl-
CID 595131
6-Ethenylidenedec-1-yne
CID 10678566
6,8-Dimethyltetradeca-6,7-dien-1,13-diyne
CID 10900010
5-Butylnona-3,4-dien-1-yne
CID 11095172
3,10-Diethyldodeca-3,4,8,9-tetraen-6-yne
CID 14146889
5-Methylidenedodec-6-yne
CID 134978424
3-Methylidenehept-1-yne
CID 12389635
5-Methylidenenona-1,3-diyne
CID 19908675
4,5,10-Triethyldodeca-5,6-dien-1,11-diyne
CID 57170086

Frequently Asked Questions

What is the IUPAC name of 14-methylpentadeca-12,13-dien-1,7-diyne?
The IUPAC name of 14-methylpentadeca-12,13-dien-1,7-diyne (CID 11117411) is 14-methylpentadeca-12,13-dien-1,7-diyne.
What is the SMILES notation for 14-methylpentadeca-12,13-dien-1,7-diyne?
The canonical SMILES for 14-methylpentadeca-12,13-dien-1,7-diyne is C#CCCCCC#CCCCC=C=C(C)C.
What is the InChIKey of 14-methylpentadeca-12,13-dien-1,7-diyne?
The InChIKey is JSHDJZMECOOAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22/c1-4-5-6-7-8-9-10-11-12-13-14-15-16(2)3/h1,14H,5-8,11-13H2,2-3H3.
What are the key properties of 14-methylpentadeca-12,13-dien-1,7-diyne?
14-methylpentadeca-12,13-dien-1,7-diyne has a molecular weight of 214.35 g/mol, XLogP of 4.47, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 14-methylpentadeca-12,13-dien-1,7-diyne is sourced from PubChem (CID 11117411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).