1-ethynyl-2-(2-methylprop-1-enyl)cyclohexene

C12H16 — CID 121015060

IUPAC1-ethynyl-2-(2-methylprop-1-enyl)cyclohexene
SMILESC#CC1=C(C=C(C)C)CCCC1
InChIInChI=1S/C12H16/c1-4-11-7-5-6-8-12(11)9-10(2)3/h1,9H,5-8H2,2-3H3
InChIKeyYFBORVOMKQVCPL-UHFFFAOYSA-N
MW160.26 g/mol
LogP3.46
Rot. Bonds1

About 1-ethynyl-2-(2-methylprop-1-enyl)cyclohexene

1-ethynyl-2-(2-methylprop-1-enyl)cyclohexene (PubChem CID 121015060) has the molecular formula C12H16 and a molecular weight of 160.26 g/mol. Its IUPAC name is 1-ethynyl-2-(2-methylprop-1-enyl)cyclohexene.

Molecular Properties

Compound Name1-ethynyl-2-(2-methylprop-1-enyl)cyclohexene
PubChem CID121015060
Molecular FormulaC12H16
Molecular Weight160.26 g/mol
Exact Mass160.13
IUPAC Name1-ethynyl-2-(2-methylprop-1-enyl)cyclohexene
SMILESC#CC1=C(C=C(C)C)CCCC1
InChIInChI=1S/C12H16/c1-4-11-7-5-6-8-12(11)9-10(2)3/h1,9H,5-8H2,2-3H3
InChIKeyYFBORVOMKQVCPL-UHFFFAOYSA-N
XLogP3.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-ethynyl-2-(2-methylprop-1-enyl)cyclohexene 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

1-Ethynylcyclohexene
CID 79128
Sylveterpinolene
CID 524200
Pentylcyclohexadiene
CID 20453786
1-Methyl-4-propylcyclohexa-1,3-diene
CID 14815299
Dimethylvinylcyclohexene
CID 19872241
Cyclohexene, 1-(1-propynyl)-
CID 577619
1-Methyl-2-(prop-1-en-2-yl)cyclohex-1-ene
CID 22321479
1-Hex-1-ynyl-cyclohexene
CID 11147892
1-Penta-2,3-dien-2-ylcyclohexene
CID 11994846
1,2-Dimethyl-3-prop-1-enylidenecyclohexene
CID 14570813
2-Octylcyclohexa-1,3-diene
CID 10797843
1-Isopropenyl-1-cyclohexene
CID 11084453

Frequently Asked Questions

What is the IUPAC name of 1-ethynyl-2-(2-methylprop-1-enyl)cyclohexene?
The IUPAC name of 1-ethynyl-2-(2-methylprop-1-enyl)cyclohexene (CID 121015060) is 1-ethynyl-2-(2-methylprop-1-enyl)cyclohexene.
What is the SMILES notation for 1-ethynyl-2-(2-methylprop-1-enyl)cyclohexene?
The canonical SMILES for 1-ethynyl-2-(2-methylprop-1-enyl)cyclohexene is C#CC1=C(C=C(C)C)CCCC1.
What is the InChIKey of 1-ethynyl-2-(2-methylprop-1-enyl)cyclohexene?
The InChIKey is YFBORVOMKQVCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16/c1-4-11-7-5-6-8-12(11)9-10(2)3/h1,9H,5-8H2,2-3H3.
What are the key properties of 1-ethynyl-2-(2-methylprop-1-enyl)cyclohexene?
1-ethynyl-2-(2-methylprop-1-enyl)cyclohexene has a molecular weight of 160.26 g/mol, XLogP of 3.46, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethynyl-2-(2-methylprop-1-enyl)cyclohexene is sourced from PubChem (CID 121015060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).