tetradec-13-en-7-ylbenzene

C20H32 — CID 140694824

IUPACtetradec-13-en-7-ylbenzene
SMILESC=CCCCCCC(CCCCCC)c1ccccc1
InChIInChI=1S/C20H32/c1-3-5-7-9-12-16-19(15-11-8-6-4-2)20-17-13-10-14-18-20/h3,10,13-14,17-19H,1,4-9,11-12,15-16H2,2H3
InChIKeyCPYAJBVFGLLNGI-UHFFFAOYSA-N
MW272.48 g/mol
LogP6.88
Rot. Bonds12

About tetradec-13-en-7-ylbenzene

tetradec-13-en-7-ylbenzene (PubChem CID 140694824) has the molecular formula C20H32 and a molecular weight of 272.48 g/mol. Its IUPAC name is tetradec-13-en-7-ylbenzene.

Molecular Properties

Compound Nametetradec-13-en-7-ylbenzene
PubChem CID140694824
Molecular FormulaC20H32
Molecular Weight272.48 g/mol
Exact Mass272.25
IUPAC Nametetradec-13-en-7-ylbenzene
SMILESC=CCCCCCC(CCCCCC)c1ccccc1
InChIInChI=1S/C20H32/c1-3-5-7-9-12-16-19(15-11-8-6-4-2)20-17-13-10-14-18-20/h3,10,13-14,17-19H,1,4-9,11-12,15-16H2,2H3
InChIKeyCPYAJBVFGLLNGI-UHFFFAOYSA-N
XLogP6.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.48
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

dec-1-en-5-ylbenzene;dec-9-en-5-ylbenzene
CID 158724514
heptatriaconta-9,28-dien-19-ylbenzene
CID 173349242
icosan-10-ylbenzene
CID 54351357
hentriacontan-13-ylbenzene
CID 91306613
2-phenyldec-9-en-1-amine
CID 107010668
10-phenyltetradecan-5-ylbenzene
CID 22891787
oct-1-en-4-ylbenzene
CID 22247233
undec-10-en-2-ylbenzene
CID 140694797
tridec-12-en-2-ylbenzene
CID 140694820
3-phenylundecan-1-ol
CID 101150144
CID 58843291
CID 58843291
octan-3-ylbenzene
CID 519547

Frequently Asked Questions

What is the IUPAC name of tetradec-13-en-7-ylbenzene?
The IUPAC name of tetradec-13-en-7-ylbenzene (CID 140694824) is tetradec-13-en-7-ylbenzene.
What is the SMILES notation for tetradec-13-en-7-ylbenzene?
The canonical SMILES for tetradec-13-en-7-ylbenzene is C=CCCCCCC(CCCCCC)c1ccccc1.
What is the InChIKey of tetradec-13-en-7-ylbenzene?
The InChIKey is CPYAJBVFGLLNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32/c1-3-5-7-9-12-16-19(15-11-8-6-4-2)20-17-13-10-14-18-20/h3,10,13-14,17-19H,1,4-9,11-12,15-16H2,2H3.
What are the key properties of tetradec-13-en-7-ylbenzene?
tetradec-13-en-7-ylbenzene has a molecular weight of 272.48 g/mol, XLogP of 6.88, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetradec-13-en-7-ylbenzene is sourced from PubChem (CID 140694824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).