1-ethenyl-1-methoxycyclohexane

C9H16O — CID 12552365

IUPAC1-ethenyl-1-methoxycyclohexane
SMILESC=CC1(OC)CCCCC1
InChIInChI=1S/C9H16O/c1-3-9(10-2)7-5-4-6-8-9/h3H,1,4-8H2,2H3
InChIKeyZNCNVXKASGNOGC-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.52
Rot. Bonds2

About 1-ethenyl-1-methoxycyclohexane

1-ethenyl-1-methoxycyclohexane (PubChem CID 12552365) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 1-ethenyl-1-methoxycyclohexane.

Molecular Properties

Compound Name1-ethenyl-1-methoxycyclohexane
PubChem CID12552365
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name1-ethenyl-1-methoxycyclohexane
SMILESC=CC1(OC)CCCCC1
InChIInChI=1S/C9H16O/c1-3-9(10-2)7-5-4-6-8-9/h3H,1,4-8H2,2H3
InChIKeyZNCNVXKASGNOGC-UHFFFAOYSA-N
XLogP2.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-1-methoxycyclohexane?
The IUPAC name of 1-ethenyl-1-methoxycyclohexane (CID 12552365) is 1-ethenyl-1-methoxycyclohexane.
What is the SMILES notation for 1-ethenyl-1-methoxycyclohexane?
The canonical SMILES for 1-ethenyl-1-methoxycyclohexane is C=CC1(OC)CCCCC1.
What is the InChIKey of 1-ethenyl-1-methoxycyclohexane?
The InChIKey is ZNCNVXKASGNOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-3-9(10-2)7-5-4-6-8-9/h3H,1,4-8H2,2H3.
What are the key properties of 1-ethenyl-1-methoxycyclohexane?
1-ethenyl-1-methoxycyclohexane has a molecular weight of 140.23 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-1-methoxycyclohexane is sourced from PubChem (CID 12552365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).