7-pentyltridec-1-ene

C18H36 — CID 123620244

IUPAC7-pentyltridec-1-ene
SMILESC=CCCCCC(CCCCC)CCCCCC
InChIInChI=1S/C18H36/c1-4-7-10-13-16-18(15-12-9-6-3)17-14-11-8-5-2/h4,18H,1,5-17H2,2-3H3
InChIKeyNVHSTANAIIIQHW-UHFFFAOYSA-N
MW252.49 g/mol
LogP6.90
Rot. Bonds14

About 7-pentyltridec-1-ene

7-pentyltridec-1-ene (PubChem CID 123620244) has the molecular formula C18H36 and a molecular weight of 252.49 g/mol. Its IUPAC name is 7-pentyltridec-1-ene.

Molecular Properties

Compound Name7-pentyltridec-1-ene
PubChem CID123620244
Molecular FormulaC18H36
Molecular Weight252.49 g/mol
Exact Mass252.28
IUPAC Name7-pentyltridec-1-ene
SMILESC=CCCCCC(CCCCC)CCCCCC
InChIInChI=1S/C18H36/c1-4-7-10-13-16-18(15-12-9-6-3)17-14-11-8-5-2/h4,18H,1,5-17H2,2-3H3
InChIKeyNVHSTANAIIIQHW-UHFFFAOYSA-N
XLogP6.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.49
LogP ≤ 56.90
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

12-pentyltricosa-1,22-diene
CID 102409743
26-heptadecylnonapentacont-1-ene
CID 123445046
9-butyltetracosane;icosane;oct-1-ene
CID 159857155
7-butylundec-1-ene
CID 174048295
8-ethylpentadec-1-ene
CID 91081893
10-ethyldocos-1-ene
CID 91804827
9-ethylhexadec-1-ene
CID 163949602
9-propyldodec-1-ene
CID 174048054
7-propylundec-1-ene
CID 174048285
6-ethyltridec-1-ene
CID 174048481
13-pent-4-enylheptacosa-1,26-diene
CID 91232021
non-1-ene
CID 141296734

Frequently Asked Questions

What is the IUPAC name of 7-pentyltridec-1-ene?
The IUPAC name of 7-pentyltridec-1-ene (CID 123620244) is 7-pentyltridec-1-ene.
What is the SMILES notation for 7-pentyltridec-1-ene?
The canonical SMILES for 7-pentyltridec-1-ene is C=CCCCCC(CCCCC)CCCCCC.
What is the InChIKey of 7-pentyltridec-1-ene?
The InChIKey is NVHSTANAIIIQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36/c1-4-7-10-13-16-18(15-12-9-6-3)17-14-11-8-5-2/h4,18H,1,5-17H2,2-3H3.
What are the key properties of 7-pentyltridec-1-ene?
7-pentyltridec-1-ene has a molecular weight of 252.49 g/mol, XLogP of 6.90, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-pentyltridec-1-ene is sourced from PubChem (CID 123620244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).