1-methoxy-1-methyl-4-methylidenecyclohexane

C9H16O — CID 10534753

IUPAC1-methoxy-1-methyl-4-methylidenecyclohexane
SMILESC=C1CCC(C)(OC)CC1
InChIInChI=1S/C9H16O/c1-8-4-6-9(2,10-3)7-5-8/h1,4-7H2,2-3H3
InChIKeyOEPVZAGDSYXXHA-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.52
Rot. Bonds1

About 1-methoxy-1-methyl-4-methylidenecyclohexane

1-methoxy-1-methyl-4-methylidenecyclohexane (PubChem CID 10534753) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 1-methoxy-1-methyl-4-methylidenecyclohexane.

Molecular Properties

Compound Name1-methoxy-1-methyl-4-methylidenecyclohexane
PubChem CID10534753
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name1-methoxy-1-methyl-4-methylidenecyclohexane
SMILESC=C1CCC(C)(OC)CC1
InChIInChI=1S/C9H16O/c1-8-4-6-9(2,10-3)7-5-8/h1,4-7H2,2-3H3
InChIKeyOEPVZAGDSYXXHA-UHFFFAOYSA-N
XLogP2.52
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 ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Cyclohexane, 1-methoxy-1-methyl-4-(1-methylethenyl)-
CID 117339
1-Allyl-1-methoxy-cyclohexane
CID 10964733
(1-Methoxy-vinyl)-cyclohexane
CID 18381009
Cyclohexane, 1-(ethoxymethyl)-4-methylene-
CID 564665
1-(Methoxymethyl)-4-methylidenecyclohexane
CID 10725435
1-Methoxy-1-(1,2-propadienyl)cyclohexane
CID 71437950
1-Methylidene-2-[4-[(2-methylpropan-2-yl)oxy]butyl]cyclohexane
CID 101411637
1-Methoxy-1-(methoxymethyl)-4-methylidenecyclohexane
CID 10535168
7-Methoxy-2,7-dimethyloct-1-ene
CID 12641402
1-(Methoxymethyl)-2-methylidenecyclohexane
CID 13227849
6-Ethoxy-2,6-dimethylhept-1-ene
CID 54229525
1-Methylidene-4-(propan-2-yloxymethyl)cyclohexane
CID 60110992

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-1-methyl-4-methylidenecyclohexane?
The IUPAC name of 1-methoxy-1-methyl-4-methylidenecyclohexane (CID 10534753) is 1-methoxy-1-methyl-4-methylidenecyclohexane.
What is the SMILES notation for 1-methoxy-1-methyl-4-methylidenecyclohexane?
The canonical SMILES for 1-methoxy-1-methyl-4-methylidenecyclohexane is C=C1CCC(C)(OC)CC1.
What is the InChIKey of 1-methoxy-1-methyl-4-methylidenecyclohexane?
The InChIKey is OEPVZAGDSYXXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-8-4-6-9(2,10-3)7-5-8/h1,4-7H2,2-3H3.
What are the key properties of 1-methoxy-1-methyl-4-methylidenecyclohexane?
1-methoxy-1-methyl-4-methylidenecyclohexane has a molecular weight of 140.23 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-1-methyl-4-methylidenecyclohexane is sourced from PubChem (CID 10534753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).