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

C24H38O4 — CID 172811618

IUPAC4,4-bis(2-cyclohexylethyl)-5-(ethenoxymethyl)-5-ethenyl-1,3-dioxolan-2-one
SMILESC=COCC1(C=C)OC(=O)OC1(CCC1CCCCC1)CCC1CCCCC1
InChIInChI=1S/C24H38O4/c1-3-23(19-26-4-2)24(28-22(25)27-23,17-15-20-11-7-5-8-12-20)18-16-21-13-9-6-10-14-21/h3-4,20-21H,1-2,5-19H2
InChIKeySGEMTWTXFBNFSX-UHFFFAOYSA-N
MW390.56 g/mol
LogP6.70
Rot. Bonds10

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

4,4-bis(2-cyclohexylethyl)-5-(ethenoxymethyl)-5-ethenyl-1,3-dioxolan-2-one (PubChem CID 172811618) has the molecular formula C24H38O4 and a molecular weight of 390.56 g/mol. Its IUPAC name is 4,4-bis(2-cyclohexylethyl)-5-(ethenoxymethyl)-5-ethenyl-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4,4-bis(2-cyclohexylethyl)-5-(ethenoxymethyl)-5-ethenyl-1,3-dioxolan-2-one
PubChem CID172811618
Molecular FormulaC24H38O4
Molecular Weight390.56 g/mol
Exact Mass390.28
IUPAC Name4,4-bis(2-cyclohexylethyl)-5-(ethenoxymethyl)-5-ethenyl-1,3-dioxolan-2-one
SMILESC=COCC1(C=C)OC(=O)OC1(CCC1CCCCC1)CCC1CCCCC1
InChIInChI=1S/C24H38O4/c1-3-23(19-26-4-2)24(28-22(25)27-23,17-15-20-11-7-5-8-12-20)18-16-21-13-9-6-10-14-21/h3-4,20-21H,1-2,5-19H2
InChIKeySGEMTWTXFBNFSX-UHFFFAOYSA-N
XLogP6.70
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.56
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,4-bis(2-cyclohexylethyl)-5-(ethenoxymethyl)-5-ethenyl-1,3-dioxolan-2-one?
The IUPAC name of 4,4-bis(2-cyclohexylethyl)-5-(ethenoxymethyl)-5-ethenyl-1,3-dioxolan-2-one (CID 172811618) is 4,4-bis(2-cyclohexylethyl)-5-(ethenoxymethyl)-5-ethenyl-1,3-dioxolan-2-one.
What is the SMILES notation for 4,4-bis(2-cyclohexylethyl)-5-(ethenoxymethyl)-5-ethenyl-1,3-dioxolan-2-one?
The canonical SMILES for 4,4-bis(2-cyclohexylethyl)-5-(ethenoxymethyl)-5-ethenyl-1,3-dioxolan-2-one is C=COCC1(C=C)OC(=O)OC1(CCC1CCCCC1)CCC1CCCCC1.
What is the InChIKey of 4,4-bis(2-cyclohexylethyl)-5-(ethenoxymethyl)-5-ethenyl-1,3-dioxolan-2-one?
The InChIKey is SGEMTWTXFBNFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38O4/c1-3-23(19-26-4-2)24(28-22(25)27-23,17-15-20-11-7-5-8-12-20)18-16-21-13-9-6-10-14-21/h3-4,20-21H,1-2,5-19H2.
What are the key properties of 4,4-bis(2-cyclohexylethyl)-5-(ethenoxymethyl)-5-ethenyl-1,3-dioxolan-2-one?
4,4-bis(2-cyclohexylethyl)-5-(ethenoxymethyl)-5-ethenyl-1,3-dioxolan-2-one has a molecular weight of 390.56 g/mol, XLogP of 6.70, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-bis(2-cyclohexylethyl)-5-(ethenoxymethyl)-5-ethenyl-1,3-dioxolan-2-one is sourced from PubChem (CID 172811618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).