10-ethenyl-3,8-dimethyl-4-propyltridec-5-ene

C20H38 — CID 173342665

IUPAC10-ethenyl-3,8-dimethyl-4-propyltridec-5-ene
SMILESC=CC(CCC)CC(C)CC=CC(CCC)C(C)CC
InChIInChI=1S/C20H38/c1-7-12-19(10-4)16-17(5)14-11-15-20(13-8-2)18(6)9-3/h10-11,15,17-20H,4,7-9,12-14,16H2,1-3,5-6H3
InChIKeyRIQHXJKCEZADGL-UHFFFAOYSA-N
MW278.52 g/mol
LogP7.02
Rot. Bonds12

About 10-ethenyl-3,8-dimethyl-4-propyltridec-5-ene

10-ethenyl-3,8-dimethyl-4-propyltridec-5-ene (PubChem CID 173342665) has the molecular formula C20H38 and a molecular weight of 278.52 g/mol. Its IUPAC name is 10-ethenyl-3,8-dimethyl-4-propyltridec-5-ene.

Molecular Properties

Compound Name10-ethenyl-3,8-dimethyl-4-propyltridec-5-ene
PubChem CID173342665
Molecular FormulaC20H38
Molecular Weight278.52 g/mol
Exact Mass278.30
IUPAC Name10-ethenyl-3,8-dimethyl-4-propyltridec-5-ene
SMILESC=CC(CCC)CC(C)CC=CC(CCC)C(C)CC
InChIInChI=1S/C20H38/c1-7-12-19(10-4)16-17(5)14-11-15-20(13-8-2)18(6)9-3/h10-11,15,17-20H,4,7-9,12-14,16H2,1-3,5-6H3
InChIKeyRIQHXJKCEZADGL-UHFFFAOYSA-N
XLogP7.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.52
LogP ≤ 57.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 10-ethenyl-3,8-dimethyl-4-propyltridec-5-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

8,9-dimethyl-4-propan-2-ylundec-5-ene
CID 123486023
5-ethenyloct-2-ene
CID 91485843
4,6,7,10-tetramethyltridec-1-ene
CID 123527597
5-ethyl-6-methyloct-3-ene
CID 90715471
5-butan-2-ylocta-1,6-diene
CID 123143633
N,4-dimethyl-N-pentan-2-ylhept-6-en-2-amine
CID 129066441
3,5-diethyloct-1-ene;ethane
CID 177204594
[(2S,4R)-4-ethenylheptan-2-yl]oxymethylbenzene
CID 145114900
3,5,6-trimethyloct-1-ene
CID 90839581
4,6,10-trimethyldodec-1-ene
CID 123808397
(2R,3S)-3-ethenyl-2-methylhexanoic acid
CID 101105350
7-ethenyl-8-methyldecan-4-one
CID 176967408

Frequently Asked Questions

What is the IUPAC name of 10-ethenyl-3,8-dimethyl-4-propyltridec-5-ene?
The IUPAC name of 10-ethenyl-3,8-dimethyl-4-propyltridec-5-ene (CID 173342665) is 10-ethenyl-3,8-dimethyl-4-propyltridec-5-ene.
What is the SMILES notation for 10-ethenyl-3,8-dimethyl-4-propyltridec-5-ene?
The canonical SMILES for 10-ethenyl-3,8-dimethyl-4-propyltridec-5-ene is C=CC(CCC)CC(C)CC=CC(CCC)C(C)CC.
What is the InChIKey of 10-ethenyl-3,8-dimethyl-4-propyltridec-5-ene?
The InChIKey is RIQHXJKCEZADGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38/c1-7-12-19(10-4)16-17(5)14-11-15-20(13-8-2)18(6)9-3/h10-11,15,17-20H,4,7-9,12-14,16H2,1-3,5-6H3.
What are the key properties of 10-ethenyl-3,8-dimethyl-4-propyltridec-5-ene?
10-ethenyl-3,8-dimethyl-4-propyltridec-5-ene has a molecular weight of 278.52 g/mol, XLogP of 7.02, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10-ethenyl-3,8-dimethyl-4-propyltridec-5-ene is sourced from PubChem (CID 173342665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).