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

C22H34O4 — CID 11164359

IUPAC5-(cyclohexylmethyl)-3-(5-cyclohexylpentanoyl)oxolane-2,4-dione
SMILESO=C(CCCCC1CCCCC1)C1C(=O)OC(CC2CCCCC2)C1=O
InChIInChI=1S/C22H34O4/c23-18(14-8-7-11-16-9-3-1-4-10-16)20-21(24)19(26-22(20)25)15-17-12-5-2-6-13-17/h16-17,19-20H,1-15H2
InChIKeyCOLSVUMSAQBDHR-UHFFFAOYSA-N
MW362.51 g/mol
LogP4.78
Rot. Bonds8

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

5-(cyclohexylmethyl)-3-(5-cyclohexylpentanoyl)oxolane-2,4-dione (PubChem CID 11164359) has the molecular formula C22H34O4 and a molecular weight of 362.51 g/mol. Its IUPAC name is 5-(cyclohexylmethyl)-3-(5-cyclohexylpentanoyl)oxolane-2,4-dione.

Molecular Properties

Compound Name5-(cyclohexylmethyl)-3-(5-cyclohexylpentanoyl)oxolane-2,4-dione
PubChem CID11164359
Molecular FormulaC22H34O4
Molecular Weight362.51 g/mol
Exact Mass362.25
IUPAC Name5-(cyclohexylmethyl)-3-(5-cyclohexylpentanoyl)oxolane-2,4-dione
SMILESO=C(CCCCC1CCCCC1)C1C(=O)OC(CC2CCCCC2)C1=O
InChIInChI=1S/C22H34O4/c23-18(14-8-7-11-16-9-3-1-4-10-16)20-21(24)19(26-22(20)25)15-17-12-5-2-6-13-17/h16-17,19-20H,1-15H2
InChIKeyCOLSVUMSAQBDHR-UHFFFAOYSA-N
XLogP4.78
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.51
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl (2S)-2-decyl-4,5-dioxooxolane-3-carboxylate
CID 44390946
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-Hexanoyltetrahydrofuran-2,4-dione
CID 581529
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
3-(4-Methylpentanoyl)-5-(2-methylpropyl)oxolane-2,4-dione
CID 11230554
3-(3-Methylbutanoyl)-5-(2-methylpropyl)oxolane-2,4-dione
CID 11241920
3-(Cyclohexanecarbonyl)-5-(cyclohexylmethyl)oxolane-2,4-dione
CID 11243704
3-(2-Cyclohexylacetyl)-5-(2-methylpropyl)oxolane-2,4-dione
CID 11300482

Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylmethyl)-3-(5-cyclohexylpentanoyl)oxolane-2,4-dione?
The IUPAC name of 5-(cyclohexylmethyl)-3-(5-cyclohexylpentanoyl)oxolane-2,4-dione (CID 11164359) is 5-(cyclohexylmethyl)-3-(5-cyclohexylpentanoyl)oxolane-2,4-dione.
What is the SMILES notation for 5-(cyclohexylmethyl)-3-(5-cyclohexylpentanoyl)oxolane-2,4-dione?
The canonical SMILES for 5-(cyclohexylmethyl)-3-(5-cyclohexylpentanoyl)oxolane-2,4-dione is O=C(CCCCC1CCCCC1)C1C(=O)OC(CC2CCCCC2)C1=O.
What is the InChIKey of 5-(cyclohexylmethyl)-3-(5-cyclohexylpentanoyl)oxolane-2,4-dione?
The InChIKey is COLSVUMSAQBDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34O4/c23-18(14-8-7-11-16-9-3-1-4-10-16)20-21(24)19(26-22(20)25)15-17-12-5-2-6-13-17/h16-17,19-20H,1-15H2.
What are the key properties of 5-(cyclohexylmethyl)-3-(5-cyclohexylpentanoyl)oxolane-2,4-dione?
5-(cyclohexylmethyl)-3-(5-cyclohexylpentanoyl)oxolane-2,4-dione has a molecular weight of 362.51 g/mol, XLogP of 4.78, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylmethyl)-3-(5-cyclohexylpentanoyl)oxolane-2,4-dione is sourced from PubChem (CID 11164359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).