(1Z)-1-(methoxymethylidene)-3-methylcyclohexane

C9H16O — CID 20641278

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

About (1Z)-1-(methoxymethylidene)-3-methylcyclohexane

(1Z)-1-(methoxymethylidene)-3-methylcyclohexane (PubChem CID 20641278) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is (1Z)-1-(methoxymethylidene)-3-methylcyclohexane.

Molecular Properties

Compound Name(1Z)-1-(methoxymethylidene)-3-methylcyclohexane
PubChem CID20641278
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name(1Z)-1-(methoxymethylidene)-3-methylcyclohexane
SMILESCO/C=C1/CCCC(C)C1
InChIInChI=1S/C9H16O/c1-8-4-3-5-9(6-8)7-10-2/h7-8H,3-6H2,1-2H3/b9-7-
InChIKeyMWTDHXDCDWLSEP-CLFYSBASSA-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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Frequently Asked Questions

What is the IUPAC name of (1Z)-1-(methoxymethylidene)-3-methylcyclohexane?
The IUPAC name of (1Z)-1-(methoxymethylidene)-3-methylcyclohexane (CID 20641278) is (1Z)-1-(methoxymethylidene)-3-methylcyclohexane.
What is the SMILES notation for (1Z)-1-(methoxymethylidene)-3-methylcyclohexane?
The canonical SMILES for (1Z)-1-(methoxymethylidene)-3-methylcyclohexane is CO/C=C1/CCCC(C)C1.
What is the InChIKey of (1Z)-1-(methoxymethylidene)-3-methylcyclohexane?
The InChIKey is MWTDHXDCDWLSEP-CLFYSBASSA-N. The full InChI is InChI=1S/C9H16O/c1-8-4-3-5-9(6-8)7-10-2/h7-8H,3-6H2,1-2H3/b9-7-.
What are the key properties of (1Z)-1-(methoxymethylidene)-3-methylcyclohexane?
(1Z)-1-(methoxymethylidene)-3-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 (1Z)-1-(methoxymethylidene)-3-methylcyclohexane is sourced from PubChem (CID 20641278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).