4-propan-2-yl-2-(2,2,5,5-tetramethyloxolan-3-yl)cyclohexan-1-one

C17H30O2 — CID 114621804

IUPAC4-propan-2-yl-2-(2,2,5,5-tetramethyloxolan-3-yl)cyclohexan-1-one
SMILESCC(C)C1CCC(=O)C(C2CC(C)(C)OC2(C)C)C1
InChIInChI=1S/C17H30O2/c1-11(2)12-7-8-15(18)13(9-12)14-10-16(3,4)19-17(14,5)6/h11-14H,7-10H2,1-6H3
InChIKeyFURVEZWJWYDBGU-UHFFFAOYSA-N
MW266.42 g/mol
LogP4.22
Rot. Bonds2

About 4-propan-2-yl-2-(2,2,5,5-tetramethyloxolan-3-yl)cyclohexan-1-one

4-propan-2-yl-2-(2,2,5,5-tetramethyloxolan-3-yl)cyclohexan-1-one (PubChem CID 114621804) has the molecular formula C17H30O2 and a molecular weight of 266.42 g/mol. Its IUPAC name is 4-propan-2-yl-2-(2,2,5,5-tetramethyloxolan-3-yl)cyclohexan-1-one.

Molecular Properties

Compound Name4-propan-2-yl-2-(2,2,5,5-tetramethyloxolan-3-yl)cyclohexan-1-one
PubChem CID114621804
Molecular FormulaC17H30O2
Molecular Weight266.42 g/mol
Exact Mass266.22
IUPAC Name4-propan-2-yl-2-(2,2,5,5-tetramethyloxolan-3-yl)cyclohexan-1-one
SMILESCC(C)C1CCC(=O)C(C2CC(C)(C)OC2(C)C)C1
InChIInChI=1S/C17H30O2/c1-11(2)12-7-8-15(18)13(9-12)14-10-16(3,4)19-17(14,5)6/h11-14H,7-10H2,1-6H3
InChIKeyFURVEZWJWYDBGU-UHFFFAOYSA-N
XLogP4.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.42
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-propan-2-yl-2-(2,2,5,5-tetramethyloxolan-3-yl)cyclohexan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,2,5,5-tetramethyloxolan-3-yl)cyclopentan-1-one
CID 114621794
2-(1-oxaspiro[5.5]undecan-4-yl)-4-propan-2-ylcyclohexan-1-one
CID 79900843
2-(azepan-2-yl)-4-propan-2-ylcyclohexan-1-one
CID 79536826
2-(3,4-dimethylcyclohexyl)-4-propan-2-ylcyclohexan-1-one
CID 79416622
2-(2-hydroxycycloheptyl)-4-propan-2-ylcyclohexan-1-one
CID 79417161
(3aS,6aR)-3,3-dimethyl-3a,4,5,6a-tetrahydro-1H-cyclopenta[c]furan-6-one
CID 71402225
2-[(E)-3-chloroprop-2-enyl]-4-propan-2-ylcyclohexan-1-one
CID 107900844
2-(oxan-4-ylmethyl)-4-propan-2-ylcyclohexan-1-one
CID 62740751
2-(3,3-dimethylbutyl)-4-propan-2-ylcyclohexan-1-one
CID 63399886
(1R,3R,5S,6R,10S)-6-hydroxy-5,12,12-trimethyl-4-oxatricyclo[8.2.0.03,5]dodecan-9-one
CID 23650099
(1R,3R,5S,6S,10S)-6-hydroxy-5,12,12-trimethyl-4-oxatricyclo[8.2.0.03,5]dodecan-9-one
CID 102588799
2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-4-propan-2-ylcyclohexan-1-one
CID 105417071

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-2-(2,2,5,5-tetramethyloxolan-3-yl)cyclohexan-1-one?
The IUPAC name of 4-propan-2-yl-2-(2,2,5,5-tetramethyloxolan-3-yl)cyclohexan-1-one (CID 114621804) is 4-propan-2-yl-2-(2,2,5,5-tetramethyloxolan-3-yl)cyclohexan-1-one.
What is the SMILES notation for 4-propan-2-yl-2-(2,2,5,5-tetramethyloxolan-3-yl)cyclohexan-1-one?
The canonical SMILES for 4-propan-2-yl-2-(2,2,5,5-tetramethyloxolan-3-yl)cyclohexan-1-one is CC(C)C1CCC(=O)C(C2CC(C)(C)OC2(C)C)C1.
What is the InChIKey of 4-propan-2-yl-2-(2,2,5,5-tetramethyloxolan-3-yl)cyclohexan-1-one?
The InChIKey is FURVEZWJWYDBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O2/c1-11(2)12-7-8-15(18)13(9-12)14-10-16(3,4)19-17(14,5)6/h11-14H,7-10H2,1-6H3.
What are the key properties of 4-propan-2-yl-2-(2,2,5,5-tetramethyloxolan-3-yl)cyclohexan-1-one?
4-propan-2-yl-2-(2,2,5,5-tetramethyloxolan-3-yl)cyclohexan-1-one has a molecular weight of 266.42 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-2-(2,2,5,5-tetramethyloxolan-3-yl)cyclohexan-1-one is sourced from PubChem (CID 114621804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).