2-methoxyethenylcyclohexane

C9H16O — CID 57065092

IUPAC2-methoxyethenylcyclohexane
SMILESCOC=CC1CCCCC1
InChIInChI=1S/C9H16O/c1-10-8-7-9-5-3-2-4-6-9/h7-9H,2-6H2,1H3
InChIKeyKBCFLDLDBXYNPR-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.73
Rot. Bonds2

About 2-methoxyethenylcyclohexane

2-methoxyethenylcyclohexane (PubChem CID 57065092) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 2-methoxyethenylcyclohexane.

Molecular Properties

Compound Name2-methoxyethenylcyclohexane
PubChem CID57065092
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name2-methoxyethenylcyclohexane
SMILESCOC=CC1CCCCC1
InChIInChI=1S/C9H16O/c1-10-8-7-9-5-3-2-4-6-9/h7-9H,2-6H2,1H3
InChIKeyKBCFLDLDBXYNPR-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
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 2-methoxyethenylcyclohexane?
The IUPAC name of 2-methoxyethenylcyclohexane (CID 57065092) is 2-methoxyethenylcyclohexane.
What is the SMILES notation for 2-methoxyethenylcyclohexane?
The canonical SMILES for 2-methoxyethenylcyclohexane is COC=CC1CCCCC1.
What is the InChIKey of 2-methoxyethenylcyclohexane?
The InChIKey is KBCFLDLDBXYNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-10-8-7-9-5-3-2-4-6-9/h7-9H,2-6H2,1H3.
What are the key properties of 2-methoxyethenylcyclohexane?
2-methoxyethenylcyclohexane has a molecular weight of 140.23 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethenylcyclohexane is sourced from PubChem (CID 57065092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).