4-(4-propan-2-ylcyclohexyl)oxetan-2-one

C12H20O2 — CID 143582877

IUPAC4-(4-propan-2-ylcyclohexyl)oxetan-2-one
SMILESCC(C)C1CCC(C2CC(=O)O2)CC1
InChIInChI=1S/C12H20O2/c1-8(2)9-3-5-10(6-4-9)11-7-12(13)14-11/h8-11H,3-7H2,1-2H3
InChIKeyRNXOWLMAKBPFNJ-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.76
Rot. Bonds2

About 4-(4-propan-2-ylcyclohexyl)oxetan-2-one

4-(4-propan-2-ylcyclohexyl)oxetan-2-one (PubChem CID 143582877) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 4-(4-propan-2-ylcyclohexyl)oxetan-2-one.

Molecular Properties

Compound Name4-(4-propan-2-ylcyclohexyl)oxetan-2-one
PubChem CID143582877
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name4-(4-propan-2-ylcyclohexyl)oxetan-2-one
SMILESCC(C)C1CCC(C2CC(=O)O2)CC1
InChIInChI=1S/C12H20O2/c1-8(2)9-3-5-10(6-4-9)11-7-12(13)14-11/h8-11H,3-7H2,1-2H3
InChIKeyRNXOWLMAKBPFNJ-UHFFFAOYSA-N
XLogP2.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'four_member_lactones', 'substructure': 'N/A'}

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Related Compounds

(4S)-4-propan-2-yloxetan-2-one
CID 11126218
(3aS,4S,6aR)-4-propan-2-yl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 10419568
4-propan-2-yloxolan-2-one
CID 10997052
propan-2-ylcyclopropane;hydroiodide
CID 162314014
4-[4-(4-ethenylheptyl)cyclohexyl]oxetan-2-one
CID 89207467
(3aS,7aS)-5,6-dimethyl-3a,4,7,7a-tetrahydro-3H-1-benzofuran-2-one
CID 102042255
(3S)-3-propan-2-ylcyclopentan-1-one
CID 10855459
4-propan-2-yloxolan-2-one;5-propan-2-yloxolan-2-one
CID 155596266
(3aS,5R,7aR)-5-methyl-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-one
CID 10997278
4-(propan-2-yloxymethyl)oxetan-2-one
CID 11829566
3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 11665410
1,4-di(propan-2-yl)piperidin-2-one
CID 59815013

Frequently Asked Questions

What is the IUPAC name of 4-(4-propan-2-ylcyclohexyl)oxetan-2-one?
The IUPAC name of 4-(4-propan-2-ylcyclohexyl)oxetan-2-one (CID 143582877) is 4-(4-propan-2-ylcyclohexyl)oxetan-2-one.
What is the SMILES notation for 4-(4-propan-2-ylcyclohexyl)oxetan-2-one?
The canonical SMILES for 4-(4-propan-2-ylcyclohexyl)oxetan-2-one is CC(C)C1CCC(C2CC(=O)O2)CC1.
What is the InChIKey of 4-(4-propan-2-ylcyclohexyl)oxetan-2-one?
The InChIKey is RNXOWLMAKBPFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-8(2)9-3-5-10(6-4-9)11-7-12(13)14-11/h8-11H,3-7H2,1-2H3.
What are the key properties of 4-(4-propan-2-ylcyclohexyl)oxetan-2-one?
4-(4-propan-2-ylcyclohexyl)oxetan-2-one has a molecular weight of 196.29 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propan-2-ylcyclohexyl)oxetan-2-one is sourced from PubChem (CID 143582877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).