(4Z)-4-(methoxymethylidene)-1,2-dimethylcyclohexene

C10H16O — CID 134979841

IUPAC(4Z)-4-(methoxymethylidene)-1,2-dimethylcyclohexene
SMILESCO/C=C1/CCC(C)=C(C)C1
InChIInChI=1S/C10H16O/c1-8-4-5-10(7-11-3)6-9(8)2/h7H,4-6H2,1-3H3/b10-7-
InChIKeyKIIDBAYBFDCWDH-YFHOEESVSA-N
MW152.24 g/mol
LogP3.04
Rot. Bonds1

About (4Z)-4-(methoxymethylidene)-1,2-dimethylcyclohexene

(4Z)-4-(methoxymethylidene)-1,2-dimethylcyclohexene (PubChem CID 134979841) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is (4Z)-4-(methoxymethylidene)-1,2-dimethylcyclohexene.

Molecular Properties

Compound Name(4Z)-4-(methoxymethylidene)-1,2-dimethylcyclohexene
PubChem CID134979841
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name(4Z)-4-(methoxymethylidene)-1,2-dimethylcyclohexene
SMILESCO/C=C1/CCC(C)=C(C)C1
InChIInChI=1S/C10H16O/c1-8-4-5-10(7-11-3)6-9(8)2/h7H,4-6H2,1-3H3/b10-7-
InChIKeyKIIDBAYBFDCWDH-YFHOEESVSA-N
XLogP3.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4Z)-4-(methoxymethylidene)-1,2-dimethylcyclohexene?
The IUPAC name of (4Z)-4-(methoxymethylidene)-1,2-dimethylcyclohexene (CID 134979841) is (4Z)-4-(methoxymethylidene)-1,2-dimethylcyclohexene.
What is the SMILES notation for (4Z)-4-(methoxymethylidene)-1,2-dimethylcyclohexene?
The canonical SMILES for (4Z)-4-(methoxymethylidene)-1,2-dimethylcyclohexene is CO/C=C1/CCC(C)=C(C)C1.
What is the InChIKey of (4Z)-4-(methoxymethylidene)-1,2-dimethylcyclohexene?
The InChIKey is KIIDBAYBFDCWDH-YFHOEESVSA-N. The full InChI is InChI=1S/C10H16O/c1-8-4-5-10(7-11-3)6-9(8)2/h7H,4-6H2,1-3H3/b10-7-.
What are the key properties of (4Z)-4-(methoxymethylidene)-1,2-dimethylcyclohexene?
(4Z)-4-(methoxymethylidene)-1,2-dimethylcyclohexene has a molecular weight of 152.24 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-(methoxymethylidene)-1,2-dimethylcyclohexene is sourced from PubChem (CID 134979841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).