13-propylhenicos-9-ene

C24H48 — CID 175294626

IUPAC13-propylhenicos-9-ene
SMILESCCCCCCCCC=CCCC(CCC)CCCCCCCC
InChIInChI=1S/C24H48/c1-4-7-9-11-13-14-15-16-18-20-23-24(21-6-3)22-19-17-12-10-8-5-2/h16,18,24H,4-15,17,19-23H2,1-3H3
InChIKeyVUCJUPBUFJWIAC-UHFFFAOYSA-N
MW336.65 g/mol
LogP9.24
Rot. Bonds19

About 13-propylhenicos-9-ene

13-propylhenicos-9-ene (PubChem CID 175294626) has the molecular formula C24H48 and a molecular weight of 336.65 g/mol. Its IUPAC name is 13-propylhenicos-9-ene.

Molecular Properties

Compound Name13-propylhenicos-9-ene
PubChem CID175294626
Molecular FormulaC24H48
Molecular Weight336.65 g/mol
Exact Mass336.38
IUPAC Name13-propylhenicos-9-ene
SMILESCCCCCCCCC=CCCC(CCC)CCCCCCCC
InChIInChI=1S/C24H48/c1-4-7-9-11-13-14-15-16-18-20-23-24(21-6-3)22-19-17-12-10-8-5-2/h16,18,24H,4-15,17,19-23H2,1-3H3
InChIKeyVUCJUPBUFJWIAC-UHFFFAOYSA-N
XLogP9.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds19
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.65
LogP ≤ 59.24
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

19-propyltritriaconta-6,9,24-triene
CID 54372361
(E)-10-propyldocos-5-ene
CID 173194543
6-propylhexadec-8-ene
CID 174779500
(E)-12-propylhexacos-9-ene
CID 173194429
16-ethyldocos-10-ene
CID 91389222
16-ethylhenicos-6-ene
CID 173194293
(E)-14-ethylnonadec-7-ene
CID 173194393
(E)-19-ethylhexacos-12-ene
CID 173194168
15-propylpentatriacontane
CID 91540514
12-propylhenpentacontane
CID 123984579
16-propylhexatriacontane
CID 91313942
13-propylheptacosane
CID 90872787

Frequently Asked Questions

What is the IUPAC name of 13-propylhenicos-9-ene?
The IUPAC name of 13-propylhenicos-9-ene (CID 175294626) is 13-propylhenicos-9-ene.
What is the SMILES notation for 13-propylhenicos-9-ene?
The canonical SMILES for 13-propylhenicos-9-ene is CCCCCCCCC=CCCC(CCC)CCCCCCCC.
What is the InChIKey of 13-propylhenicos-9-ene?
The InChIKey is VUCJUPBUFJWIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48/c1-4-7-9-11-13-14-15-16-18-20-23-24(21-6-3)22-19-17-12-10-8-5-2/h16,18,24H,4-15,17,19-23H2,1-3H3.
What are the key properties of 13-propylhenicos-9-ene?
13-propylhenicos-9-ene has a molecular weight of 336.65 g/mol, XLogP of 9.24, 19 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 13-propylhenicos-9-ene is sourced from PubChem (CID 175294626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).