1-(3,4-dimethylpent-4-enyl)cyclohexene

C13H22 — CID 143128247

IUPAC1-(3,4-dimethylpent-4-enyl)cyclohexene
SMILESC=C(C)C(C)CCC1=CCCCC1
InChIInChI=1S/C13H22/c1-11(2)12(3)9-10-13-7-5-4-6-8-13/h7,12H,1,4-6,8-10H2,2-3H3
InChIKeyPHLIPEVFFLYWKT-UHFFFAOYSA-N
MW178.32 g/mol
LogP4.48
Rot. Bonds4

About 1-(3,4-dimethylpent-4-enyl)cyclohexene

1-(3,4-dimethylpent-4-enyl)cyclohexene (PubChem CID 143128247) has the molecular formula C13H22 and a molecular weight of 178.32 g/mol. Its IUPAC name is 1-(3,4-dimethylpent-4-enyl)cyclohexene.

Molecular Properties

Compound Name1-(3,4-dimethylpent-4-enyl)cyclohexene
PubChem CID143128247
Molecular FormulaC13H22
Molecular Weight178.32 g/mol
Exact Mass178.17
IUPAC Name1-(3,4-dimethylpent-4-enyl)cyclohexene
SMILESC=C(C)C(C)CCC1=CCCCC1
InChIInChI=1S/C13H22/c1-11(2)12(3)9-10-13-7-5-4-6-8-13/h7,12H,1,4-6,8-10H2,2-3H3
InChIKeyPHLIPEVFFLYWKT-UHFFFAOYSA-N
XLogP4.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.32
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(cyclohexen-1-yl)-N-ethyl-3-methylbut-3-en-2-amine
CID 116661717
ethane;1-(4-methylpent-3-enyl)cyclohexene
CID 142984227
3-(cyclohexen-1-yl)-2-methylpropanoic acid
CID 54053706
1-(cyclohexen-1-yl)-N,5-dimethylhex-5-en-2-amine
CID 114475921
1-[2-(cyclohexen-1-yl)ethyl]-3-(3-methylbutyl)urea
CID 110299684
1-(cyclohexen-1-yl)-2-deuteriopropan-2-ol
CID 12622752
(2S)-N-[2-(cyclohexen-1-yl)ethyl]-3-methylbutan-2-amine
CID 28620859
3-[2-(cyclohexen-1-yl)ethyl-propylamino]-2-methylpropanoic acid
CID 82328145
N-[2-(cyclohexen-1-yl)ethyl]-2-(3-methylbutylamino)acetamide
CID 108993945
2-chloro-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 3498774
(2S)-2-amino-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 22690442
3-[2-(cyclohexen-1-yl)ethyl-[2-(dimethylamino)ethyl]amino]-2-methylpropanoic acid
CID 82330297

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylpent-4-enyl)cyclohexene?
The IUPAC name of 1-(3,4-dimethylpent-4-enyl)cyclohexene (CID 143128247) is 1-(3,4-dimethylpent-4-enyl)cyclohexene.
What is the SMILES notation for 1-(3,4-dimethylpent-4-enyl)cyclohexene?
The canonical SMILES for 1-(3,4-dimethylpent-4-enyl)cyclohexene is C=C(C)C(C)CCC1=CCCCC1.
What is the InChIKey of 1-(3,4-dimethylpent-4-enyl)cyclohexene?
The InChIKey is PHLIPEVFFLYWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22/c1-11(2)12(3)9-10-13-7-5-4-6-8-13/h7,12H,1,4-6,8-10H2,2-3H3.
What are the key properties of 1-(3,4-dimethylpent-4-enyl)cyclohexene?
1-(3,4-dimethylpent-4-enyl)cyclohexene has a molecular weight of 178.32 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylpent-4-enyl)cyclohexene is sourced from PubChem (CID 143128247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).