(4E)-4-(methoxymethylidene)-1,1,3-trimethylcyclohexane

C11H20O — CID 12838344

IUPAC(4E)-4-(methoxymethylidene)-1,1,3-trimethylcyclohexane
SMILESCO/C=C1\CCC(C)(C)CC1C
InChIInChI=1S/C11H20O/c1-9-7-11(2,3)6-5-10(9)8-12-4/h8-9H,5-7H2,1-4H3/b10-8+
InChIKeyKWUGSDYLAPJTAS-CSKARUKUSA-N
MW168.28 g/mol
LogP3.36
Rot. Bonds1

About (4E)-4-(methoxymethylidene)-1,1,3-trimethylcyclohexane

(4E)-4-(methoxymethylidene)-1,1,3-trimethylcyclohexane (PubChem CID 12838344) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is (4E)-4-(methoxymethylidene)-1,1,3-trimethylcyclohexane.

Molecular Properties

Compound Name(4E)-4-(methoxymethylidene)-1,1,3-trimethylcyclohexane
PubChem CID12838344
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name(4E)-4-(methoxymethylidene)-1,1,3-trimethylcyclohexane
SMILESCO/C=C1\CCC(C)(C)CC1C
InChIInChI=1S/C11H20O/c1-9-7-11(2,3)6-5-10(9)8-12-4/h8-9H,5-7H2,1-4H3/b10-8+
InChIKeyKWUGSDYLAPJTAS-CSKARUKUSA-N
XLogP3.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (4E)-4-(methoxymethylidene)-1,1,3-trimethylcyclohexane 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

Cyclohexane, 1-(1,1-dimethylethyl)-4-(methoxymethylene)-
CID 10877774
1-(Methoxymethylene)-4-methylcyclohexane
CID 23401550
4-Methoxymethylene-1,1-dimethyl-cyclohexane
CID 58908667
3-[(E)-1-methoxyprop-1-en-2-yl]-1,1-dimethylcyclohexane
CID 134851761
(2E)-2-(methoxymethylidene)-1-methyl-4-propan-2-ylcyclohexane
CID 134896278
1-Ethoxy-2,3,5,5-tetramethylhex-1-ene
CID 170842835
4-Isopropyl-3-methoxymethylene-1,1-dimethyl-cyclohexane
CID 5373369
(1E)-1-(methoxymethylidene)-2-methylcyclohexane
CID 12838342
(1Z)-1-(methoxymethylidene)-2-methylcyclohexane
CID 12838343
1-Ethyl-4-(methoxymethylidene)cyclohexane
CID 18344115
(1Z)-1-(methoxymethylidene)-3-methylcyclohexane
CID 20641278
1-(Methoxymethylidene)-4-propylcyclohexane
CID 44542571

Frequently Asked Questions

What is the IUPAC name of (4E)-4-(methoxymethylidene)-1,1,3-trimethylcyclohexane?
The IUPAC name of (4E)-4-(methoxymethylidene)-1,1,3-trimethylcyclohexane (CID 12838344) is (4E)-4-(methoxymethylidene)-1,1,3-trimethylcyclohexane.
What is the SMILES notation for (4E)-4-(methoxymethylidene)-1,1,3-trimethylcyclohexane?
The canonical SMILES for (4E)-4-(methoxymethylidene)-1,1,3-trimethylcyclohexane is CO/C=C1\CCC(C)(C)CC1C.
What is the InChIKey of (4E)-4-(methoxymethylidene)-1,1,3-trimethylcyclohexane?
The InChIKey is KWUGSDYLAPJTAS-CSKARUKUSA-N. The full InChI is InChI=1S/C11H20O/c1-9-7-11(2,3)6-5-10(9)8-12-4/h8-9H,5-7H2,1-4H3/b10-8+.
What are the key properties of (4E)-4-(methoxymethylidene)-1,1,3-trimethylcyclohexane?
(4E)-4-(methoxymethylidene)-1,1,3-trimethylcyclohexane has a molecular weight of 168.28 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-(methoxymethylidene)-1,1,3-trimethylcyclohexane is sourced from PubChem (CID 12838344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).