(1E,2S)-1-ethylidene-2-methylcyclohexane

C9H16 — CID 148695286

IUPAC(1E,2S)-1-ethylidene-2-methylcyclohexane
SMILESC/C=C1\CCCC[C@@H]1C
InChIInChI=1S/C9H16/c1-3-9-7-5-4-6-8(9)2/h3,8H,4-7H2,1-2H3/b9-3+/t8-/m0/s1
InChIKeyNUHCEMOQRZEGAQ-FVKOELHVSA-N
MW124.23 g/mol
LogP3.14
Rot. Bonds

About (1E,2S)-1-ethylidene-2-methylcyclohexane

(1E,2S)-1-ethylidene-2-methylcyclohexane (PubChem CID 148695286) has the molecular formula C9H16 and a molecular weight of 124.23 g/mol. Its IUPAC name is (1E,2S)-1-ethylidene-2-methylcyclohexane.

Molecular Properties

Compound Name(1E,2S)-1-ethylidene-2-methylcyclohexane
PubChem CID148695286
Molecular FormulaC9H16
Molecular Weight124.23 g/mol
Exact Mass124.13
IUPAC Name(1E,2S)-1-ethylidene-2-methylcyclohexane
SMILESC/C=C1\CCCC[C@@H]1C
InChIInChI=1S/C9H16/c1-3-9-7-5-4-6-8(9)2/h3,8H,4-7H2,1-2H3/b9-3+/t8-/m0/s1
InChIKeyNUHCEMOQRZEGAQ-FVKOELHVSA-N
XLogP3.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.23
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (1E,2S)-1-ethylidene-2-methylcyclohexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1E,2S)-1-ethylidene-2-methylcyclohexane?
The IUPAC name of (1E,2S)-1-ethylidene-2-methylcyclohexane (CID 148695286) is (1E,2S)-1-ethylidene-2-methylcyclohexane.
What is the SMILES notation for (1E,2S)-1-ethylidene-2-methylcyclohexane?
The canonical SMILES for (1E,2S)-1-ethylidene-2-methylcyclohexane is C/C=C1\CCCC[C@@H]1C.
What is the InChIKey of (1E,2S)-1-ethylidene-2-methylcyclohexane?
The InChIKey is NUHCEMOQRZEGAQ-FVKOELHVSA-N. The full InChI is InChI=1S/C9H16/c1-3-9-7-5-4-6-8(9)2/h3,8H,4-7H2,1-2H3/b9-3+/t8-/m0/s1.
What are the key properties of (1E,2S)-1-ethylidene-2-methylcyclohexane?
(1E,2S)-1-ethylidene-2-methylcyclohexane has a molecular weight of 124.23 g/mol, XLogP of 3.14, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,2S)-1-ethylidene-2-methylcyclohexane is sourced from PubChem (CID 148695286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).