1-(methoxymethyl)-4-(methoxymethylidene)-1-methylcyclohexane

C11H20O2 — CID 175004683

IUPAC1-(methoxymethyl)-4-(methoxymethylidene)-1-methylcyclohexane
SMILESCOC=C1CCC(C)(COC)CC1
InChIInChI=1S/C11H20O2/c1-11(9-13-3)6-4-10(5-7-11)8-12-2/h8H,4-7,9H2,1-3H3/b10-8-
InChIKeyIXBALKLSIDYOOB-NTMALXAHSA-N
MW184.28 g/mol
LogP2.74
Rot. Bonds3

About 1-(methoxymethyl)-4-(methoxymethylidene)-1-methylcyclohexane

1-(methoxymethyl)-4-(methoxymethylidene)-1-methylcyclohexane (PubChem CID 175004683) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-(methoxymethyl)-4-(methoxymethylidene)-1-methylcyclohexane.

Molecular Properties

Compound Name1-(methoxymethyl)-4-(methoxymethylidene)-1-methylcyclohexane
PubChem CID175004683
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name1-(methoxymethyl)-4-(methoxymethylidene)-1-methylcyclohexane
SMILESCOC=C1CCC(C)(COC)CC1
InChIInChI=1S/C11H20O2/c1-11(9-13-3)6-4-10(5-7-11)8-12-2/h8H,4-7,9H2,1-3H3/b10-8-
InChIKeyIXBALKLSIDYOOB-NTMALXAHSA-N
XLogP2.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethyl)-4-(methoxymethylidene)-1-methylcyclohexane?
The IUPAC name of 1-(methoxymethyl)-4-(methoxymethylidene)-1-methylcyclohexane (CID 175004683) is 1-(methoxymethyl)-4-(methoxymethylidene)-1-methylcyclohexane.
What is the SMILES notation for 1-(methoxymethyl)-4-(methoxymethylidene)-1-methylcyclohexane?
The canonical SMILES for 1-(methoxymethyl)-4-(methoxymethylidene)-1-methylcyclohexane is COC=C1CCC(C)(COC)CC1.
What is the InChIKey of 1-(methoxymethyl)-4-(methoxymethylidene)-1-methylcyclohexane?
The InChIKey is IXBALKLSIDYOOB-NTMALXAHSA-N. The full InChI is InChI=1S/C11H20O2/c1-11(9-13-3)6-4-10(5-7-11)8-12-2/h8H,4-7,9H2,1-3H3/b10-8-.
What are the key properties of 1-(methoxymethyl)-4-(methoxymethylidene)-1-methylcyclohexane?
1-(methoxymethyl)-4-(methoxymethylidene)-1-methylcyclohexane has a molecular weight of 184.28 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)-4-(methoxymethylidene)-1-methylcyclohexane is sourced from PubChem (CID 175004683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).