(2E)-2-(methoxymethylidene)-1-methyl-4-propan-2-ylcyclohexane

C12H22O — CID 134896278

IUPAC(2E)-2-(methoxymethylidene)-1-methyl-4-propan-2-ylcyclohexane
SMILESCO/C=C1\CC(C(C)C)CCC1C
InChIInChI=1S/C12H22O/c1-9(2)11-6-5-10(3)12(7-11)8-13-4/h8-11H,5-7H2,1-4H3/b12-8+
InChIKeyIYERBABVCNTTSK-XYOKQWHBSA-N
MW182.31 g/mol
LogP3.61
Rot. Bonds2

About (2E)-2-(methoxymethylidene)-1-methyl-4-propan-2-ylcyclohexane

(2E)-2-(methoxymethylidene)-1-methyl-4-propan-2-ylcyclohexane (PubChem CID 134896278) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is (2E)-2-(methoxymethylidene)-1-methyl-4-propan-2-ylcyclohexane.

Molecular Properties

Compound Name(2E)-2-(methoxymethylidene)-1-methyl-4-propan-2-ylcyclohexane
PubChem CID134896278
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name(2E)-2-(methoxymethylidene)-1-methyl-4-propan-2-ylcyclohexane
SMILESCO/C=C1\CC(C(C)C)CCC1C
InChIInChI=1S/C12H22O/c1-9(2)11-6-5-10(3)12(7-11)8-13-4/h8-11H,5-7H2,1-4H3/b12-8+
InChIKeyIYERBABVCNTTSK-XYOKQWHBSA-N
XLogP3.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze (2E)-2-(methoxymethylidene)-1-methyl-4-propan-2-ylcyclohexane 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 (2E)-2-(methoxymethylidene)-1-methyl-4-propan-2-ylcyclohexane?
The IUPAC name of (2E)-2-(methoxymethylidene)-1-methyl-4-propan-2-ylcyclohexane (CID 134896278) is (2E)-2-(methoxymethylidene)-1-methyl-4-propan-2-ylcyclohexane.
What is the SMILES notation for (2E)-2-(methoxymethylidene)-1-methyl-4-propan-2-ylcyclohexane?
The canonical SMILES for (2E)-2-(methoxymethylidene)-1-methyl-4-propan-2-ylcyclohexane is CO/C=C1\CC(C(C)C)CCC1C.
What is the InChIKey of (2E)-2-(methoxymethylidene)-1-methyl-4-propan-2-ylcyclohexane?
The InChIKey is IYERBABVCNTTSK-XYOKQWHBSA-N. The full InChI is InChI=1S/C12H22O/c1-9(2)11-6-5-10(3)12(7-11)8-13-4/h8-11H,5-7H2,1-4H3/b12-8+.
What are the key properties of (2E)-2-(methoxymethylidene)-1-methyl-4-propan-2-ylcyclohexane?
(2E)-2-(methoxymethylidene)-1-methyl-4-propan-2-ylcyclohexane has a molecular weight of 182.31 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(methoxymethylidene)-1-methyl-4-propan-2-ylcyclohexane is sourced from PubChem (CID 134896278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).