4-[[2,4-bis(2,2-dimethylpropyl)cyclopentyl]methyl]-2-ethyl-2-methyl-1,3-dioxolane

C22H42O2 — CID 123816362

IUPAC4-[[2,4-bis(2,2-dimethylpropyl)cyclopentyl]methyl]-2-ethyl-2-methyl-1,3-dioxolane
SMILESCCC1(C)OCC(CC2CC(CC(C)(C)C)CC2CC(C)(C)C)O1
InChIInChI=1S/C22H42O2/c1-9-22(8)23-15-19(24-22)12-17-10-16(13-20(2,3)4)11-18(17)14-21(5,6)7/h16-19H,9-15H2,1-8H3
InChIKeyZNSDQXQXRFOJOI-UHFFFAOYSA-N
MW338.58 g/mol
LogP6.43
Rot. Bonds5

About 4-[[2,4-bis(2,2-dimethylpropyl)cyclopentyl]methyl]-2-ethyl-2-methyl-1,3-dioxolane

4-[[2,4-bis(2,2-dimethylpropyl)cyclopentyl]methyl]-2-ethyl-2-methyl-1,3-dioxolane (PubChem CID 123816362) has the molecular formula C22H42O2 and a molecular weight of 338.58 g/mol. Its IUPAC name is 4-[[2,4-bis(2,2-dimethylpropyl)cyclopentyl]methyl]-2-ethyl-2-methyl-1,3-dioxolane.

Molecular Properties

Compound Name4-[[2,4-bis(2,2-dimethylpropyl)cyclopentyl]methyl]-2-ethyl-2-methyl-1,3-dioxolane
PubChem CID123816362
Molecular FormulaC22H42O2
Molecular Weight338.58 g/mol
Exact Mass338.32
IUPAC Name4-[[2,4-bis(2,2-dimethylpropyl)cyclopentyl]methyl]-2-ethyl-2-methyl-1,3-dioxolane
SMILESCCC1(C)OCC(CC2CC(CC(C)(C)C)CC2CC(C)(C)C)O1
InChIInChI=1S/C22H42O2/c1-9-22(8)23-15-19(24-22)12-17-10-16(13-20(2,3)4)11-18(17)14-21(5,6)7/h16-19H,9-15H2,1-8H3
InChIKeyZNSDQXQXRFOJOI-UHFFFAOYSA-N
XLogP6.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.58
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[[2,4-bis(2,2-dimethylpropyl)cyclopentyl]methyl]-2-ethyl-2-methyl-1,3-dioxolane 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-[[2,4-bis(2,2-dimethylpropyl)cyclopentyl]methyl]-2-ethyl-2-methyl-1,3-dioxolane?
The IUPAC name of 4-[[2,4-bis(2,2-dimethylpropyl)cyclopentyl]methyl]-2-ethyl-2-methyl-1,3-dioxolane (CID 123816362) is 4-[[2,4-bis(2,2-dimethylpropyl)cyclopentyl]methyl]-2-ethyl-2-methyl-1,3-dioxolane.
What is the SMILES notation for 4-[[2,4-bis(2,2-dimethylpropyl)cyclopentyl]methyl]-2-ethyl-2-methyl-1,3-dioxolane?
The canonical SMILES for 4-[[2,4-bis(2,2-dimethylpropyl)cyclopentyl]methyl]-2-ethyl-2-methyl-1,3-dioxolane is CCC1(C)OCC(CC2CC(CC(C)(C)C)CC2CC(C)(C)C)O1.
What is the InChIKey of 4-[[2,4-bis(2,2-dimethylpropyl)cyclopentyl]methyl]-2-ethyl-2-methyl-1,3-dioxolane?
The InChIKey is ZNSDQXQXRFOJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42O2/c1-9-22(8)23-15-19(24-22)12-17-10-16(13-20(2,3)4)11-18(17)14-21(5,6)7/h16-19H,9-15H2,1-8H3.
What are the key properties of 4-[[2,4-bis(2,2-dimethylpropyl)cyclopentyl]methyl]-2-ethyl-2-methyl-1,3-dioxolane?
4-[[2,4-bis(2,2-dimethylpropyl)cyclopentyl]methyl]-2-ethyl-2-methyl-1,3-dioxolane has a molecular weight of 338.58 g/mol, XLogP of 6.43, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2,4-bis(2,2-dimethylpropyl)cyclopentyl]methyl]-2-ethyl-2-methyl-1,3-dioxolane is sourced from PubChem (CID 123816362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).