6-(methoxymethylidene)-3,3-dimethylcyclohexene

C10H16O — CID 77399967

IUPAC6-(methoxymethylidene)-3,3-dimethylcyclohexene
SMILESCOC=C1C=CC(C)(C)CC1
InChIInChI=1S/C10H16O/c1-10(2)6-4-9(5-7-10)8-11-3/h4,6,8H,5,7H2,1-3H3
InChIKeyDXAXPNNQFKDXGH-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.89
Rot. Bonds1

About 6-(methoxymethylidene)-3,3-dimethylcyclohexene

6-(methoxymethylidene)-3,3-dimethylcyclohexene (PubChem CID 77399967) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 6-(methoxymethylidene)-3,3-dimethylcyclohexene.

Molecular Properties

Compound Name6-(methoxymethylidene)-3,3-dimethylcyclohexene
PubChem CID77399967
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name6-(methoxymethylidene)-3,3-dimethylcyclohexene
SMILESCOC=C1C=CC(C)(C)CC1
InChIInChI=1S/C10H16O/c1-10(2)6-4-9(5-7-10)8-11-3/h4,6,8H,5,7H2,1-3H3
InChIKeyDXAXPNNQFKDXGH-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
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 6-(methoxymethylidene)-3,3-dimethylcyclohexene?
The IUPAC name of 6-(methoxymethylidene)-3,3-dimethylcyclohexene (CID 77399967) is 6-(methoxymethylidene)-3,3-dimethylcyclohexene.
What is the SMILES notation for 6-(methoxymethylidene)-3,3-dimethylcyclohexene?
The canonical SMILES for 6-(methoxymethylidene)-3,3-dimethylcyclohexene is COC=C1C=CC(C)(C)CC1.
What is the InChIKey of 6-(methoxymethylidene)-3,3-dimethylcyclohexene?
The InChIKey is DXAXPNNQFKDXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-10(2)6-4-9(5-7-10)8-11-3/h4,6,8H,5,7H2,1-3H3.
What are the key properties of 6-(methoxymethylidene)-3,3-dimethylcyclohexene?
6-(methoxymethylidene)-3,3-dimethylcyclohexene has a molecular weight of 152.24 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethylidene)-3,3-dimethylcyclohexene is sourced from PubChem (CID 77399967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).