4,4-bis(2-cyclohexylethyl)-5-ethenyl-1,3-dioxolan-2-one

C21H34O3 — CID 101343771

IUPAC4,4-bis(2-cyclohexylethyl)-5-ethenyl-1,3-dioxolan-2-one
SMILESC=CC1OC(=O)OC1(CCC1CCCCC1)CCC1CCCCC1
InChIInChI=1S/C21H34O3/c1-2-19-21(24-20(22)23-19,15-13-17-9-5-3-6-10-17)16-14-18-11-7-4-8-12-18/h2,17-19H,1,3-16H2
InChIKeyKTLBTDIEXZJKCO-UHFFFAOYSA-N
MW334.50 g/mol
LogP6.17
Rot. Bonds7

About 4,4-bis(2-cyclohexylethyl)-5-ethenyl-1,3-dioxolan-2-one

4,4-bis(2-cyclohexylethyl)-5-ethenyl-1,3-dioxolan-2-one (PubChem CID 101343771) has the molecular formula C21H34O3 and a molecular weight of 334.50 g/mol. Its IUPAC name is 4,4-bis(2-cyclohexylethyl)-5-ethenyl-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4,4-bis(2-cyclohexylethyl)-5-ethenyl-1,3-dioxolan-2-one
PubChem CID101343771
Molecular FormulaC21H34O3
Molecular Weight334.50 g/mol
Exact Mass334.25
IUPAC Name4,4-bis(2-cyclohexylethyl)-5-ethenyl-1,3-dioxolan-2-one
SMILESC=CC1OC(=O)OC1(CCC1CCCCC1)CCC1CCCCC1
InChIInChI=1S/C21H34O3/c1-2-19-21(24-20(22)23-19,15-13-17-9-5-3-6-10-17)16-14-18-11-7-4-8-12-18/h2,17-19H,1,3-16H2
InChIKeyKTLBTDIEXZJKCO-UHFFFAOYSA-N
XLogP6.17
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.50
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4,4-bis(2-cyclohexylethyl)-5-ethenyl-1,3-dioxolan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,4-bis(2-cyclohexylethyl)-5-ethenyl-1,3-dioxolan-2-one?
The IUPAC name of 4,4-bis(2-cyclohexylethyl)-5-ethenyl-1,3-dioxolan-2-one (CID 101343771) is 4,4-bis(2-cyclohexylethyl)-5-ethenyl-1,3-dioxolan-2-one.
What is the SMILES notation for 4,4-bis(2-cyclohexylethyl)-5-ethenyl-1,3-dioxolan-2-one?
The canonical SMILES for 4,4-bis(2-cyclohexylethyl)-5-ethenyl-1,3-dioxolan-2-one is C=CC1OC(=O)OC1(CCC1CCCCC1)CCC1CCCCC1.
What is the InChIKey of 4,4-bis(2-cyclohexylethyl)-5-ethenyl-1,3-dioxolan-2-one?
The InChIKey is KTLBTDIEXZJKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34O3/c1-2-19-21(24-20(22)23-19,15-13-17-9-5-3-6-10-17)16-14-18-11-7-4-8-12-18/h2,17-19H,1,3-16H2.
What are the key properties of 4,4-bis(2-cyclohexylethyl)-5-ethenyl-1,3-dioxolan-2-one?
4,4-bis(2-cyclohexylethyl)-5-ethenyl-1,3-dioxolan-2-one has a molecular weight of 334.50 g/mol, XLogP of 6.17, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-bis(2-cyclohexylethyl)-5-ethenyl-1,3-dioxolan-2-one is sourced from PubChem (CID 101343771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).