(E)-3-methyl-4-propyloct-3-ene

C12H24 — CID 57107532

IUPAC(E)-3-methyl-4-propyloct-3-ene
SMILESCCCC/C(CCC)=C(\C)CC
InChIInChI=1S/C12H24/c1-5-8-10-12(9-6-2)11(4)7-3/h5-10H2,1-4H3/b12-11+
InChIKeyCVHJNMACOHLJRO-VAWYXSNFSA-N
MW168.32 g/mol
LogP4.70
Rot. Bonds6

About (E)-3-methyl-4-propyloct-3-ene

(E)-3-methyl-4-propyloct-3-ene (PubChem CID 57107532) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is (E)-3-methyl-4-propyloct-3-ene.

Molecular Properties

Compound Name(E)-3-methyl-4-propyloct-3-ene
PubChem CID57107532
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Name(E)-3-methyl-4-propyloct-3-ene
SMILESCCCC/C(CCC)=C(\C)CC
InChIInChI=1S/C12H24/c1-5-8-10-12(9-6-2)11(4)7-3/h5-10H2,1-4H3/b12-11+
InChIKeyCVHJNMACOHLJRO-VAWYXSNFSA-N
XLogP4.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.32
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (E)-3-methyl-4-propyloct-3-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

5-ethyl-4-methylnon-4-ene
CID 143021471
10-methyl-9-propylicos-9-ene
CID 57290137
(Z)-10-methyl-9-propylicos-9-ene
CID 18601799
(E)-3-propyloct-2-en-2-ol
CID 142123066
3,4-dimethylocta-1,3-diene
CID 54003351
5,6-dibutyltetradec-5-ene
CID 19866346
2-hydroxy-3-propylhept-2-enoic acid
CID 173086337
6-butyl-7-ethyltetradec-6-ene
CID 57142303
(E)-3,4-dimethylicos-3-ene
CID 173263978
10-butyl-11-ethyldocos-10-ene
CID 57219160
5-(difluoromethylidene)nonane
CID 86233125
3-methylhept-2-en-2-ol
CID 73309482

Frequently Asked Questions

What is the IUPAC name of (E)-3-methyl-4-propyloct-3-ene?
The IUPAC name of (E)-3-methyl-4-propyloct-3-ene (CID 57107532) is (E)-3-methyl-4-propyloct-3-ene.
What is the SMILES notation for (E)-3-methyl-4-propyloct-3-ene?
The canonical SMILES for (E)-3-methyl-4-propyloct-3-ene is CCCC/C(CCC)=C(\C)CC.
What is the InChIKey of (E)-3-methyl-4-propyloct-3-ene?
The InChIKey is CVHJNMACOHLJRO-VAWYXSNFSA-N. The full InChI is InChI=1S/C12H24/c1-5-8-10-12(9-6-2)11(4)7-3/h5-10H2,1-4H3/b12-11+.
What are the key properties of (E)-3-methyl-4-propyloct-3-ene?
(E)-3-methyl-4-propyloct-3-ene has a molecular weight of 168.32 g/mol, XLogP of 4.70, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methyl-4-propyloct-3-ene is sourced from PubChem (CID 57107532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).