3-(2-cyclohexylacetyl)-5-(2-methylpropyl)oxolane-2,4-dione

C16H24O4 — CID 11300482

IUPAC3-(2-cyclohexylacetyl)-5-(2-methylpropyl)oxolane-2,4-dione
SMILESCC(C)CC1OC(=O)C(C(=O)CC2CCCCC2)C1=O
InChIInChI=1S/C16H24O4/c1-10(2)8-13-15(18)14(16(19)20-13)12(17)9-11-6-4-3-5-7-11/h10-11,13-14H,3-9H2,1-2H3
InChIKeyZDLPNGUUTQMITL-UHFFFAOYSA-N
MW280.36 g/mol
LogP2.68
Rot. Bonds5

About 3-(2-cyclohexylacetyl)-5-(2-methylpropyl)oxolane-2,4-dione

3-(2-cyclohexylacetyl)-5-(2-methylpropyl)oxolane-2,4-dione (PubChem CID 11300482) has the molecular formula C16H24O4 and a molecular weight of 280.36 g/mol. Its IUPAC name is 3-(2-cyclohexylacetyl)-5-(2-methylpropyl)oxolane-2,4-dione.

Molecular Properties

Compound Name3-(2-cyclohexylacetyl)-5-(2-methylpropyl)oxolane-2,4-dione
PubChem CID11300482
Molecular FormulaC16H24O4
Molecular Weight280.36 g/mol
Exact Mass280.17
IUPAC Name3-(2-cyclohexylacetyl)-5-(2-methylpropyl)oxolane-2,4-dione
SMILESCC(C)CC1OC(=O)C(C(=O)CC2CCCCC2)C1=O
InChIInChI=1S/C16H24O4/c1-10(2)8-13-15(18)14(16(19)20-13)12(17)9-11-6-4-3-5-7-11/h10-11,13-14H,3-9H2,1-2H3
InChIKeyZDLPNGUUTQMITL-UHFFFAOYSA-N
XLogP2.68
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2(3H)-Furanone, 3-acetyl-5-butyldihydro-
CID 3084764
2(3H)-Furanone, 4,5-dihydro-4-acetyl-5-cyclohexyl-, (E)-
CID 21789892
Ethyl 4-cyclohexyl-2,4-dioxobutanoate
CID 23005470
methyl (2S)-2-butyl-4,5-dioxooxolane-3-carboxylate
CID 44390886
methyl (2S)-2-octyl-4,5-dioxooxolane-3-carboxylate
CID 44390903
methyl (2S)-2-decyl-4,5-dioxooxolane-3-carboxylate
CID 44390946
Ethyl 2-(2-cyclohexylethyl)-3-oxobutanoate
CID 230430
2,3-Furandione, dihydro-4-methyl-5-propyl-
CID 112495
Diethyl (3-ethyl-1-ethoxy-2-oxoheptyl)propanedioate
CID 45382055
3-Acetyl-5-butyloxolan-2-one
CID 10856172
3-Acetyl-5-propyldihydrofuran-2(3h)-one
CID 240256
2,4(3H,5H)-Furandione, 3-isopentyl-
CID 568048

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclohexylacetyl)-5-(2-methylpropyl)oxolane-2,4-dione?
The IUPAC name of 3-(2-cyclohexylacetyl)-5-(2-methylpropyl)oxolane-2,4-dione (CID 11300482) is 3-(2-cyclohexylacetyl)-5-(2-methylpropyl)oxolane-2,4-dione.
What is the SMILES notation for 3-(2-cyclohexylacetyl)-5-(2-methylpropyl)oxolane-2,4-dione?
The canonical SMILES for 3-(2-cyclohexylacetyl)-5-(2-methylpropyl)oxolane-2,4-dione is CC(C)CC1OC(=O)C(C(=O)CC2CCCCC2)C1=O.
What is the InChIKey of 3-(2-cyclohexylacetyl)-5-(2-methylpropyl)oxolane-2,4-dione?
The InChIKey is ZDLPNGUUTQMITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O4/c1-10(2)8-13-15(18)14(16(19)20-13)12(17)9-11-6-4-3-5-7-11/h10-11,13-14H,3-9H2,1-2H3.
What are the key properties of 3-(2-cyclohexylacetyl)-5-(2-methylpropyl)oxolane-2,4-dione?
3-(2-cyclohexylacetyl)-5-(2-methylpropyl)oxolane-2,4-dione has a molecular weight of 280.36 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclohexylacetyl)-5-(2-methylpropyl)oxolane-2,4-dione is sourced from PubChem (CID 11300482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).