8-heptylpentadec-7-ene

C22H44 — CID 543824

IUPAC8-heptylpentadec-7-ene
SMILESCCCCCCC=C(CCCCCCC)CCCCCCC
InChIInChI=1S/C22H44/c1-4-7-10-13-16-19-22(20-17-14-11-8-5-2)21-18-15-12-9-6-3/h19H,4-18,20-21H2,1-3H3
InChIKeyWJHKJDCSYKKJRG-UHFFFAOYSA-N
MW308.59 g/mol
LogP8.60
Rot. Bonds17

About 8-heptylpentadec-7-ene

8-heptylpentadec-7-ene (PubChem CID 543824) has the molecular formula C22H44 and a molecular weight of 308.59 g/mol. Its IUPAC name is 8-heptylpentadec-7-ene.

Molecular Properties

Compound Name8-heptylpentadec-7-ene
PubChem CID543824
Molecular FormulaC22H44
Molecular Weight308.59 g/mol
Exact Mass308.34
IUPAC Name8-heptylpentadec-7-ene
SMILESCCCCCCC=C(CCCCCCC)CCCCCCC
InChIInChI=1S/C22H44/c1-4-7-10-13-16-19-22(20-17-14-11-8-5-2)21-18-15-12-9-6-3/h19H,4-18,20-21H2,1-3H3
InChIKeyWJHKJDCSYKKJRG-UHFFFAOYSA-N
XLogP8.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.59
LogP ≤ 58.60
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

Terpinolene
CID 11463
Squalene
CID 638072
(Z)-9-Tricosene
CID 5365075
(6Z,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 11975273
Germacrene B
CID 5281519
gamma-Bisabolene
CID 62346
gamma-BISABOLENE, (E)-
CID 5352437
(-)-Cembrene A
CID 5281384
1-Ethylcyclohexene
CID 73937
4-Propyl-3-heptene
CID 138270
gamma-Bisabolene, (Z)-
CID 3033866
Octadec-9-ene
CID 5364599

Frequently Asked Questions

What is the IUPAC name of 8-heptylpentadec-7-ene?
The IUPAC name of 8-heptylpentadec-7-ene (CID 543824) is 8-heptylpentadec-7-ene.
What is the SMILES notation for 8-heptylpentadec-7-ene?
The canonical SMILES for 8-heptylpentadec-7-ene is CCCCCCC=C(CCCCCCC)CCCCCCC.
What is the InChIKey of 8-heptylpentadec-7-ene?
The InChIKey is WJHKJDCSYKKJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44/c1-4-7-10-13-16-19-22(20-17-14-11-8-5-2)21-18-15-12-9-6-3/h19H,4-18,20-21H2,1-3H3.
What are the key properties of 8-heptylpentadec-7-ene?
8-heptylpentadec-7-ene has a molecular weight of 308.59 g/mol, XLogP of 8.60, 17 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-heptylpentadec-7-ene is sourced from PubChem (CID 543824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).