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

C15H22O4 — CID 11334621

IUPAC3-(cyclohexanecarbonyl)-5-(2-methylpropyl)oxolane-2,4-dione
SMILESCC(C)CC1OC(=O)C(C(=O)C2CCCCC2)C1=O
InChIInChI=1S/C15H22O4/c1-9(2)8-11-14(17)12(15(18)19-11)13(16)10-6-4-3-5-7-10/h9-12H,3-8H2,1-2H3
InChIKeyOSJWZWBPMKGJML-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.29
Rot. Bonds4

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

3-(cyclohexanecarbonyl)-5-(2-methylpropyl)oxolane-2,4-dione (PubChem CID 11334621) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-(cyclohexanecarbonyl)-5-(2-methylpropyl)oxolane-2,4-dione.

Molecular Properties

Compound Name3-(cyclohexanecarbonyl)-5-(2-methylpropyl)oxolane-2,4-dione
PubChem CID11334621
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name3-(cyclohexanecarbonyl)-5-(2-methylpropyl)oxolane-2,4-dione
SMILESCC(C)CC1OC(=O)C(C(=O)C2CCCCC2)C1=O
InChIInChI=1S/C15H22O4/c1-9(2)8-11-14(17)12(15(18)19-11)13(16)10-6-4-3-5-7-10/h9-12H,3-8H2,1-2H3
InChIKeyOSJWZWBPMKGJML-UHFFFAOYSA-N
XLogP2.29
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.29
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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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexanecarbonyl)-5-(2-methylpropyl)oxolane-2,4-dione?
The IUPAC name of 3-(cyclohexanecarbonyl)-5-(2-methylpropyl)oxolane-2,4-dione (CID 11334621) is 3-(cyclohexanecarbonyl)-5-(2-methylpropyl)oxolane-2,4-dione.
What is the SMILES notation for 3-(cyclohexanecarbonyl)-5-(2-methylpropyl)oxolane-2,4-dione?
The canonical SMILES for 3-(cyclohexanecarbonyl)-5-(2-methylpropyl)oxolane-2,4-dione is CC(C)CC1OC(=O)C(C(=O)C2CCCCC2)C1=O.
What is the InChIKey of 3-(cyclohexanecarbonyl)-5-(2-methylpropyl)oxolane-2,4-dione?
The InChIKey is OSJWZWBPMKGJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-9(2)8-11-14(17)12(15(18)19-11)13(16)10-6-4-3-5-7-10/h9-12H,3-8H2,1-2H3.
What are the key properties of 3-(cyclohexanecarbonyl)-5-(2-methylpropyl)oxolane-2,4-dione?
3-(cyclohexanecarbonyl)-5-(2-methylpropyl)oxolane-2,4-dione has a molecular weight of 266.34 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexanecarbonyl)-5-(2-methylpropyl)oxolane-2,4-dione is sourced from PubChem (CID 11334621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).