1-methoxy-4,4-dimethylcyclohexene

C9H16O — CID 558759

IUPAC1-methoxy-4,4-dimethylcyclohexene
SMILESCOC1=CCC(C)(C)CC1
InChIInChI=1S/C9H16O/c1-9(2)6-4-8(10-3)5-7-9/h4H,5-7H2,1-3H3
InChIKeyWDNZMAPNUBPBMI-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.73
Rot. Bonds1

About 1-methoxy-4,4-dimethylcyclohexene

1-methoxy-4,4-dimethylcyclohexene (PubChem CID 558759) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 1-methoxy-4,4-dimethylcyclohexene.

Molecular Properties

Compound Name1-methoxy-4,4-dimethylcyclohexene
PubChem CID558759
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name1-methoxy-4,4-dimethylcyclohexene
SMILESCOC1=CCC(C)(C)CC1
InChIInChI=1S/C9H16O/c1-9(2)6-4-8(10-3)5-7-9/h4H,5-7H2,1-3H3
InChIKeyWDNZMAPNUBPBMI-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4,4-dimethylcyclohexene?
The IUPAC name of 1-methoxy-4,4-dimethylcyclohexene (CID 558759) is 1-methoxy-4,4-dimethylcyclohexene.
What is the SMILES notation for 1-methoxy-4,4-dimethylcyclohexene?
The canonical SMILES for 1-methoxy-4,4-dimethylcyclohexene is COC1=CCC(C)(C)CC1.
What is the InChIKey of 1-methoxy-4,4-dimethylcyclohexene?
The InChIKey is WDNZMAPNUBPBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-9(2)6-4-8(10-3)5-7-9/h4H,5-7H2,1-3H3.
What are the key properties of 1-methoxy-4,4-dimethylcyclohexene?
1-methoxy-4,4-dimethylcyclohexene 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 1-methoxy-4,4-dimethylcyclohexene is sourced from PubChem (CID 558759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).