(1E)-1-(methoxymethylidene)-2-methylcyclohexane

C9H16O — CID 12838342

IUPAC(1E)-1-(methoxymethylidene)-2-methylcyclohexane
SMILESCO/C=C1\CCCCC1C
InChIInChI=1S/C9H16O/c1-8-5-3-4-6-9(8)7-10-2/h7-8H,3-6H2,1-2H3/b9-7+
InChIKeyKKROUDOFTLLTHC-VQHVLOKHSA-N
MW140.23 g/mol
LogP2.73
Rot. Bonds1

About (1E)-1-(methoxymethylidene)-2-methylcyclohexane

(1E)-1-(methoxymethylidene)-2-methylcyclohexane (PubChem CID 12838342) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is (1E)-1-(methoxymethylidene)-2-methylcyclohexane.

Molecular Properties

Compound Name(1E)-1-(methoxymethylidene)-2-methylcyclohexane
PubChem CID12838342
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name(1E)-1-(methoxymethylidene)-2-methylcyclohexane
SMILESCO/C=C1\CCCCC1C
InChIInChI=1S/C9H16O/c1-8-5-3-4-6-9(8)7-10-2/h7-8H,3-6H2,1-2H3/b9-7+
InChIKeyKKROUDOFTLLTHC-VQHVLOKHSA-N
XLogP2.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Cyclohexane, 1-(1,1-dimethylethyl)-4-(methoxymethylene)-
CID 10877774
[(E)-2-methoxyethenyl]cyclohexane
CID 12552145
[(Z)-2-methoxyethenyl]cyclohexane
CID 12552146
1-(Methoxymethylene)-4-methylcyclohexane
CID 23401550
2-Methoxyethenylcyclohexane
CID 57065092
1-(Methoxymethylidene)-4-(trifluoromethyl)cyclohexane
CID 68212335
(3E)-2-fluoro-3-(methoxymethylidene)-4-methylhept-1-ene
CID 89329967
1-(Methoxymethyl)-4-methylidenecyclohexane
CID 10725435
(Ethoxymethylene)cyclohexane
CID 12361524
4-Methoxymethylene-1,1-dimethyl-cyclohexane
CID 58908667
[4-(Methoxymethylidene)cyclohexyl]cycloheptane
CID 118360343
(4E)-4-(methoxymethylidene)-1,1,3-trimethylcyclohexane
CID 12838344

Frequently Asked Questions

What is the IUPAC name of (1E)-1-(methoxymethylidene)-2-methylcyclohexane?
The IUPAC name of (1E)-1-(methoxymethylidene)-2-methylcyclohexane (CID 12838342) is (1E)-1-(methoxymethylidene)-2-methylcyclohexane.
What is the SMILES notation for (1E)-1-(methoxymethylidene)-2-methylcyclohexane?
The canonical SMILES for (1E)-1-(methoxymethylidene)-2-methylcyclohexane is CO/C=C1\CCCCC1C.
What is the InChIKey of (1E)-1-(methoxymethylidene)-2-methylcyclohexane?
The InChIKey is KKROUDOFTLLTHC-VQHVLOKHSA-N. The full InChI is InChI=1S/C9H16O/c1-8-5-3-4-6-9(8)7-10-2/h7-8H,3-6H2,1-2H3/b9-7+.
What are the key properties of (1E)-1-(methoxymethylidene)-2-methylcyclohexane?
(1E)-1-(methoxymethylidene)-2-methylcyclohexane has a molecular weight of 140.23 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-(methoxymethylidene)-2-methylcyclohexane is sourced from PubChem (CID 12838342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).