[(E)-2-methoxyethenyl]cyclohexane

C9H16O — CID 12552145

IUPAC[(E)-2-methoxyethenyl]cyclohexane
SMILESCO/C=C/C1CCCCC1
InChIInChI=1S/C9H16O/c1-10-8-7-9-5-3-2-4-6-9/h7-9H,2-6H2,1H3/b8-7+
InChIKeyKBCFLDLDBXYNPR-BQYQJAHWSA-N
MW140.23 g/mol
LogP2.73
Rot. Bonds2

About [(E)-2-methoxyethenyl]cyclohexane

[(E)-2-methoxyethenyl]cyclohexane (PubChem CID 12552145) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is [(E)-2-methoxyethenyl]cyclohexane.

Molecular Properties

Compound Name[(E)-2-methoxyethenyl]cyclohexane
PubChem CID12552145
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name[(E)-2-methoxyethenyl]cyclohexane
SMILESCO/C=C/C1CCCCC1
InChIInChI=1S/C9H16O/c1-10-8-7-9-5-3-2-4-6-9/h7-9H,2-6H2,1H3/b8-7+
InChIKeyKBCFLDLDBXYNPR-BQYQJAHWSA-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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Related Compounds

[(Z)-1-deuterio-3-methylpent-1-enoxy]methylcyclohexane
CID 14970181
4-butyl-4H-pyran
CID 15612482
2-Isobutyl-4-methyldihydropyran
CID 129792224
[(Z)-2-methoxyethenyl]cyclohexane
CID 12552146
1-(Methoxymethylene)-4-methylcyclohexane
CID 23401550
2-Methoxyethenylcyclohexane
CID 57065092
1-Ethoxy-4-methyl-1-nonene
CID 3023475
1-Ethoxy-4-methylnon-1-ene
CID 6366398
1,1-difluoro-4-[(E)-2-methoxyethenyl]cyclohexane
CID 59581239
1,1-Difluoro-4-(2-methoxyethenyl)cyclohexane
CID 72331677
4-butan-2-yl-4H-pyran
CID 10725412
4-cyclohexyl-4H-pyran
CID 10844759

Frequently Asked Questions

What is the IUPAC name of [(E)-2-methoxyethenyl]cyclohexane?
The IUPAC name of [(E)-2-methoxyethenyl]cyclohexane (CID 12552145) is [(E)-2-methoxyethenyl]cyclohexane.
What is the SMILES notation for [(E)-2-methoxyethenyl]cyclohexane?
The canonical SMILES for [(E)-2-methoxyethenyl]cyclohexane is CO/C=C/C1CCCCC1.
What is the InChIKey of [(E)-2-methoxyethenyl]cyclohexane?
The InChIKey is KBCFLDLDBXYNPR-BQYQJAHWSA-N. The full InChI is InChI=1S/C9H16O/c1-10-8-7-9-5-3-2-4-6-9/h7-9H,2-6H2,1H3/b8-7+.
What are the key properties of [(E)-2-methoxyethenyl]cyclohexane?
[(E)-2-methoxyethenyl]cyclohexane 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 [(E)-2-methoxyethenyl]cyclohexane is sourced from PubChem (CID 12552145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).