(E)-12-propylhexacos-9-ene

C29H58 — CID 173194429

IUPAC(E)-12-propylhexacos-9-ene
SMILESCCCCCCCC/C=C/CC(CCC)CCCCCCCCCCCCCC
InChIInChI=1S/C29H58/c1-4-7-9-11-13-15-16-17-19-21-23-25-28-29(26-6-3)27-24-22-20-18-14-12-10-8-5-2/h22,24,29H,4-21,23,25-28H2,1-3H3/b24-22+
InChIKeyXNZKCCWOHRDRNO-ZNTNEXAZSA-N
MW406.78 g/mol
LogP11.19
Rot. Bonds24

About (E)-12-propylhexacos-9-ene

(E)-12-propylhexacos-9-ene (PubChem CID 173194429) has the molecular formula C29H58 and a molecular weight of 406.78 g/mol. Its IUPAC name is (E)-12-propylhexacos-9-ene.

Molecular Properties

Compound Name(E)-12-propylhexacos-9-ene
PubChem CID173194429
Molecular FormulaC29H58
Molecular Weight406.78 g/mol
Exact Mass406.45
IUPAC Name(E)-12-propylhexacos-9-ene
SMILESCCCCCCCC/C=C/CC(CCC)CCCCCCCCCCCCCC
InChIInChI=1S/C29H58/c1-4-7-9-11-13-15-16-17-19-21-23-25-28-29(26-6-3)27-24-22-20-18-14-12-10-8-5-2/h22,24,29H,4-21,23,25-28H2,1-3H3/b24-22+
InChIKeyXNZKCCWOHRDRNO-ZNTNEXAZSA-N
XLogP11.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds24
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.78
LogP ≤ 511.19
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'}

Analyze (E)-12-propylhexacos-9-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-propylhexadec-8-ene
CID 174779500
7-propylhenicos-4-en-1-amine
CID 57195043
13-propylhenicos-9-ene
CID 175294626
19-propyltritriaconta-6,9,24-triene
CID 54372361
(E)-10-propyldocos-5-ene
CID 173194543
16-ethylhenicos-6-ene
CID 173194293
(E)-14-ethylnonadec-7-ene
CID 173194393
(E)-19-ethylhexacos-12-ene
CID 173194168
16-ethyldocos-10-ene
CID 91389222
11-ethyltetradec-4-ene
CID 123216279
(E)-10-methyloctadec-7-ene
CID 173194246
(E)-5,22-diethylhexacos-11-ene
CID 173194569

Frequently Asked Questions

What is the IUPAC name of (E)-12-propylhexacos-9-ene?
The IUPAC name of (E)-12-propylhexacos-9-ene (CID 173194429) is (E)-12-propylhexacos-9-ene.
What is the SMILES notation for (E)-12-propylhexacos-9-ene?
The canonical SMILES for (E)-12-propylhexacos-9-ene is CCCCCCCC/C=C/CC(CCC)CCCCCCCCCCCCCC.
What is the InChIKey of (E)-12-propylhexacos-9-ene?
The InChIKey is XNZKCCWOHRDRNO-ZNTNEXAZSA-N. The full InChI is InChI=1S/C29H58/c1-4-7-9-11-13-15-16-17-19-21-23-25-28-29(26-6-3)27-24-22-20-18-14-12-10-8-5-2/h22,24,29H,4-21,23,25-28H2,1-3H3/b24-22+.
What are the key properties of (E)-12-propylhexacos-9-ene?
(E)-12-propylhexacos-9-ene has a molecular weight of 406.78 g/mol, XLogP of 11.19, 24 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-12-propylhexacos-9-ene is sourced from PubChem (CID 173194429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).