4-ethyl-3,5-dimethylhex-1-ene

C10H20 — CID 19044876

IUPAC4-ethyl-3,5-dimethylhex-1-ene
SMILESC=CC(C)C(CC)C(C)C
InChIInChI=1S/C10H20/c1-6-9(5)10(7-2)8(3)4/h6,8-10H,1,7H2,2-5H3
InChIKeyXINSBYTVOCFAKN-UHFFFAOYSA-N
MW140.27 g/mol
LogP3.49
Rot. Bonds4

About 4-ethyl-3,5-dimethylhex-1-ene

4-ethyl-3,5-dimethylhex-1-ene (PubChem CID 19044876) has the molecular formula C10H20 and a molecular weight of 140.27 g/mol. Its IUPAC name is 4-ethyl-3,5-dimethylhex-1-ene.

Molecular Properties

Compound Name4-ethyl-3,5-dimethylhex-1-ene
PubChem CID19044876
Molecular FormulaC10H20
Molecular Weight140.27 g/mol
Exact Mass140.16
IUPAC Name4-ethyl-3,5-dimethylhex-1-ene
SMILESC=CC(C)C(CC)C(C)C
InChIInChI=1S/C10H20/c1-6-9(5)10(7-2)8(3)4/h6,8-10H,1,7H2,2-5H3
InChIKeyXINSBYTVOCFAKN-UHFFFAOYSA-N
XLogP3.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.27
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 4-ethyl-3,5-dimethylhex-1-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

3,4-diethyl-5-methylhex-1-ene
CID 22107333
3,4-dimethylhexa-1,5-diene
CID 521244
(4S,5S)-5-ethyl-6-methylhept-1-en-4-ol
CID 59076573
(4S,5S)-5-methyl-4-propan-2-ylhept-1-ene
CID 59039366
(3R,4R,5S)-3,5-dimethylhept-1-en-4-ol
CID 12703990
3,6-diethyl-2,7-dimethyl-4,5-di(propan-2-yl)octane
CID 140704954
3-ethyl-2,4-dimethylpentane;2,3,4-trimethylpentane
CID 158873092
4-fluoro-3-methylpent-1-ene
CID 123956032
(4S)-3-ethyl-2,4-dimethylhexane
CID 59911226
(3S)-4-propan-2-ylhept-6-en-3-ol
CID 59039473
3,4,7,8-tetramethylnona-1,5-diene
CID 123537739
4-ethenyl-3,5-dimethylheptane
CID 90755259

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3,5-dimethylhex-1-ene?
The IUPAC name of 4-ethyl-3,5-dimethylhex-1-ene (CID 19044876) is 4-ethyl-3,5-dimethylhex-1-ene.
What is the SMILES notation for 4-ethyl-3,5-dimethylhex-1-ene?
The canonical SMILES for 4-ethyl-3,5-dimethylhex-1-ene is C=CC(C)C(CC)C(C)C.
What is the InChIKey of 4-ethyl-3,5-dimethylhex-1-ene?
The InChIKey is XINSBYTVOCFAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20/c1-6-9(5)10(7-2)8(3)4/h6,8-10H,1,7H2,2-5H3.
What are the key properties of 4-ethyl-3,5-dimethylhex-1-ene?
4-ethyl-3,5-dimethylhex-1-ene has a molecular weight of 140.27 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3,5-dimethylhex-1-ene is sourced from PubChem (CID 19044876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).