2-methoxy-1-methyl-4-methylidenecyclohexane

C9H16O — CID 89297433

IUPAC2-methoxy-1-methyl-4-methylidenecyclohexane
SMILESC=C1CCC(C)C(OC)C1
InChIInChI=1S/C9H16O/c1-7-4-5-8(2)9(6-7)10-3/h8-9H,1,4-6H2,2-3H3
InChIKeyBMGFLOYEZFFRQI-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.38
Rot. Bonds1

About 2-methoxy-1-methyl-4-methylidenecyclohexane

2-methoxy-1-methyl-4-methylidenecyclohexane (PubChem CID 89297433) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 2-methoxy-1-methyl-4-methylidenecyclohexane.

Molecular Properties

Compound Name2-methoxy-1-methyl-4-methylidenecyclohexane
PubChem CID89297433
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name2-methoxy-1-methyl-4-methylidenecyclohexane
SMILESC=C1CCC(C)C(OC)C1
InChIInChI=1S/C9H16O/c1-7-4-5-8(2)9(6-7)10-3/h8-9H,1,4-6H2,2-3H3
InChIKeyBMGFLOYEZFFRQI-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-methyl-4-methylidenecyclohexane?
The IUPAC name of 2-methoxy-1-methyl-4-methylidenecyclohexane (CID 89297433) is 2-methoxy-1-methyl-4-methylidenecyclohexane.
What is the SMILES notation for 2-methoxy-1-methyl-4-methylidenecyclohexane?
The canonical SMILES for 2-methoxy-1-methyl-4-methylidenecyclohexane is C=C1CCC(C)C(OC)C1.
What is the InChIKey of 2-methoxy-1-methyl-4-methylidenecyclohexane?
The InChIKey is BMGFLOYEZFFRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-7-4-5-8(2)9(6-7)10-3/h8-9H,1,4-6H2,2-3H3.
What are the key properties of 2-methoxy-1-methyl-4-methylidenecyclohexane?
2-methoxy-1-methyl-4-methylidenecyclohexane has a molecular weight of 140.23 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-methyl-4-methylidenecyclohexane is sourced from PubChem (CID 89297433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).