5-(cyclohexylmethyl)-3-(3-cyclohexylpropanoyl)oxolane-2,4-dione

C20H30O4 — CID 11461782

IUPAC5-(cyclohexylmethyl)-3-(3-cyclohexylpropanoyl)oxolane-2,4-dione
SMILESO=C(CCC1CCCCC1)C1C(=O)OC(CC2CCCCC2)C1=O
InChIInChI=1S/C20H30O4/c21-16(12-11-14-7-3-1-4-8-14)18-19(22)17(24-20(18)23)13-15-9-5-2-6-10-15/h14-15,17-18H,1-13H2
InChIKeyLQZVSDNNSFELLW-UHFFFAOYSA-N
MW334.46 g/mol
LogP4.00
Rot. Bonds6

About 5-(cyclohexylmethyl)-3-(3-cyclohexylpropanoyl)oxolane-2,4-dione

5-(cyclohexylmethyl)-3-(3-cyclohexylpropanoyl)oxolane-2,4-dione (PubChem CID 11461782) has the molecular formula C20H30O4 and a molecular weight of 334.46 g/mol. Its IUPAC name is 5-(cyclohexylmethyl)-3-(3-cyclohexylpropanoyl)oxolane-2,4-dione.

Molecular Properties

Compound Name5-(cyclohexylmethyl)-3-(3-cyclohexylpropanoyl)oxolane-2,4-dione
PubChem CID11461782
Molecular FormulaC20H30O4
Molecular Weight334.46 g/mol
Exact Mass334.21
IUPAC Name5-(cyclohexylmethyl)-3-(3-cyclohexylpropanoyl)oxolane-2,4-dione
SMILESO=C(CCC1CCCCC1)C1C(=O)OC(CC2CCCCC2)C1=O
InChIInChI=1S/C20H30O4/c21-16(12-11-14-7-3-1-4-8-14)18-19(22)17(24-20(18)23)13-15-9-5-2-6-10-15/h14-15,17-18H,1-13H2
InChIKeyLQZVSDNNSFELLW-UHFFFAOYSA-N
XLogP4.00
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 54.00
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

methyl (2S)-2-octyl-4,5-dioxooxolane-3-carboxylate
CID 44390903
methyl (2S)-2-decyl-4,5-dioxooxolane-3-carboxylate
CID 44390946
3-(Cyclohexanecarbonyl)oxolan-2-one
CID 67419752
3-(6-Ethoxycarbonylhexyl)tetrahydrofuran-2,4-dione
CID 11391207
Diethyl (2-cyclohexyl-1-ethoxy-2-oxoethyl)propanedioate
CID 45382049
Ethyl 2-(2-acetyloxybutanoyl)decanoate
CID 134867753
diethyl 2-[(1R)-2-cyclohexyl-1-ethoxy-2-oxoethyl]propanedioate
CID 146165239
3-Acetyl-1-oxaspiro[4.5]decane-2,4-dione
CID 567183
3-Hexanoyltetrahydrofuran-2,4-dione
CID 581529
Methyl 12-oxo-12-(2-oxooxolan-3-yl)dodecanoate
CID 10946900
3-(4-Cyclohexylbutanoyl)-5-(2-methylpropyl)oxolane-2,4-dione
CID 11162628
3-(4-Tert-butylcyclohexanecarbonyl)-5-(2-methylpropyl)oxolane-2,4-dione
CID 11163066

Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylmethyl)-3-(3-cyclohexylpropanoyl)oxolane-2,4-dione?
The IUPAC name of 5-(cyclohexylmethyl)-3-(3-cyclohexylpropanoyl)oxolane-2,4-dione (CID 11461782) is 5-(cyclohexylmethyl)-3-(3-cyclohexylpropanoyl)oxolane-2,4-dione.
What is the SMILES notation for 5-(cyclohexylmethyl)-3-(3-cyclohexylpropanoyl)oxolane-2,4-dione?
The canonical SMILES for 5-(cyclohexylmethyl)-3-(3-cyclohexylpropanoyl)oxolane-2,4-dione is O=C(CCC1CCCCC1)C1C(=O)OC(CC2CCCCC2)C1=O.
What is the InChIKey of 5-(cyclohexylmethyl)-3-(3-cyclohexylpropanoyl)oxolane-2,4-dione?
The InChIKey is LQZVSDNNSFELLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O4/c21-16(12-11-14-7-3-1-4-8-14)18-19(22)17(24-20(18)23)13-15-9-5-2-6-10-15/h14-15,17-18H,1-13H2.
What are the key properties of 5-(cyclohexylmethyl)-3-(3-cyclohexylpropanoyl)oxolane-2,4-dione?
5-(cyclohexylmethyl)-3-(3-cyclohexylpropanoyl)oxolane-2,4-dione has a molecular weight of 334.46 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylmethyl)-3-(3-cyclohexylpropanoyl)oxolane-2,4-dione is sourced from PubChem (CID 11461782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).