4-(1-methoxyprop-2-enyl)cyclohexan-1-one

C10H16O2 — CID 14043914

IUPAC4-(1-methoxyprop-2-enyl)cyclohexan-1-one
SMILESC=CC(OC)C1CCC(=O)CC1
InChIInChI=1S/C10H16O2/c1-3-10(12-2)8-4-6-9(11)7-5-8/h3,8,10H,1,4-7H2,2H3
InChIKeyQITYPFAEEXHEJQ-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.95
Rot. Bonds3

About 4-(1-methoxyprop-2-enyl)cyclohexan-1-one

4-(1-methoxyprop-2-enyl)cyclohexan-1-one (PubChem CID 14043914) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 4-(1-methoxyprop-2-enyl)cyclohexan-1-one.

Molecular Properties

Compound Name4-(1-methoxyprop-2-enyl)cyclohexan-1-one
PubChem CID14043914
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name4-(1-methoxyprop-2-enyl)cyclohexan-1-one
SMILESC=CC(OC)C1CCC(=O)CC1
InChIInChI=1S/C10H16O2/c1-3-10(12-2)8-4-6-9(11)7-5-8/h3,8,10H,1,4-7H2,2H3
InChIKeyQITYPFAEEXHEJQ-UHFFFAOYSA-N
XLogP1.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 4-(1-methoxyprop-2-enyl)cyclohexan-1-one?
The IUPAC name of 4-(1-methoxyprop-2-enyl)cyclohexan-1-one (CID 14043914) is 4-(1-methoxyprop-2-enyl)cyclohexan-1-one.
What is the SMILES notation for 4-(1-methoxyprop-2-enyl)cyclohexan-1-one?
The canonical SMILES for 4-(1-methoxyprop-2-enyl)cyclohexan-1-one is C=CC(OC)C1CCC(=O)CC1.
What is the InChIKey of 4-(1-methoxyprop-2-enyl)cyclohexan-1-one?
The InChIKey is QITYPFAEEXHEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-3-10(12-2)8-4-6-9(11)7-5-8/h3,8,10H,1,4-7H2,2H3.
What are the key properties of 4-(1-methoxyprop-2-enyl)cyclohexan-1-one?
4-(1-methoxyprop-2-enyl)cyclohexan-1-one has a molecular weight of 168.24 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methoxyprop-2-enyl)cyclohexan-1-one is sourced from PubChem (CID 14043914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).