2-(2-ethoxyprop-2-enyl)-2-methylcyclohexan-1-one

C12H20O2 — CID 24977073

IUPAC2-(2-ethoxyprop-2-enyl)-2-methylcyclohexan-1-one
SMILESC=C(CC1(C)CCCCC1=O)OCC
InChIInChI=1S/C12H20O2/c1-4-14-10(2)9-12(3)8-6-5-7-11(12)13/h2,4-9H2,1,3H3
InChIKeyDKGQUWKRNUMWCW-UHFFFAOYSA-N
MW196.29 g/mol
LogP3.08
Rot. Bonds4

About 2-(2-ethoxyprop-2-enyl)-2-methylcyclohexan-1-one

2-(2-ethoxyprop-2-enyl)-2-methylcyclohexan-1-one (PubChem CID 24977073) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-(2-ethoxyprop-2-enyl)-2-methylcyclohexan-1-one.

Molecular Properties

Compound Name2-(2-ethoxyprop-2-enyl)-2-methylcyclohexan-1-one
PubChem CID24977073
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name2-(2-ethoxyprop-2-enyl)-2-methylcyclohexan-1-one
SMILESC=C(CC1(C)CCCCC1=O)OCC
InChIInChI=1S/C12H20O2/c1-4-14-10(2)9-12(3)8-6-5-7-11(12)13/h2,4-9H2,1,3H3
InChIKeyDKGQUWKRNUMWCW-UHFFFAOYSA-N
XLogP3.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(2-ethoxyprop-2-enyl)-2-methylcyclohexan-1-one?
The IUPAC name of 2-(2-ethoxyprop-2-enyl)-2-methylcyclohexan-1-one (CID 24977073) is 2-(2-ethoxyprop-2-enyl)-2-methylcyclohexan-1-one.
What is the SMILES notation for 2-(2-ethoxyprop-2-enyl)-2-methylcyclohexan-1-one?
The canonical SMILES for 2-(2-ethoxyprop-2-enyl)-2-methylcyclohexan-1-one is C=C(CC1(C)CCCCC1=O)OCC.
What is the InChIKey of 2-(2-ethoxyprop-2-enyl)-2-methylcyclohexan-1-one?
The InChIKey is DKGQUWKRNUMWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-4-14-10(2)9-12(3)8-6-5-7-11(12)13/h2,4-9H2,1,3H3.
What are the key properties of 2-(2-ethoxyprop-2-enyl)-2-methylcyclohexan-1-one?
2-(2-ethoxyprop-2-enyl)-2-methylcyclohexan-1-one has a molecular weight of 196.29 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyprop-2-enyl)-2-methylcyclohexan-1-one is sourced from PubChem (CID 24977073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).