4-(cyclopentylmethoxymethyl)-2,2-dimethyl-1,3-dioxolane

C12H22O3 — CID 18965526

IUPAC4-(cyclopentylmethoxymethyl)-2,2-dimethyl-1,3-dioxolane
SMILESCC1(C)OCC(COCC2CCCC2)O1
InChIInChI=1S/C12H22O3/c1-12(2)14-9-11(15-12)8-13-7-10-5-3-4-6-10/h10-11H,3-9H2,1-2H3
InChIKeyRLCDHGWVDFENMX-UHFFFAOYSA-N
MW214.30 g/mol
LogP2.34
Rot. Bonds4

About 4-(cyclopentylmethoxymethyl)-2,2-dimethyl-1,3-dioxolane

4-(cyclopentylmethoxymethyl)-2,2-dimethyl-1,3-dioxolane (PubChem CID 18965526) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is 4-(cyclopentylmethoxymethyl)-2,2-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name4-(cyclopentylmethoxymethyl)-2,2-dimethyl-1,3-dioxolane
PubChem CID18965526
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name4-(cyclopentylmethoxymethyl)-2,2-dimethyl-1,3-dioxolane
SMILESCC1(C)OCC(COCC2CCCC2)O1
InChIInChI=1S/C12H22O3/c1-12(2)14-9-11(15-12)8-13-7-10-5-3-4-6-10/h10-11H,3-9H2,1-2H3
InChIKeyRLCDHGWVDFENMX-UHFFFAOYSA-N
XLogP2.34
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(cyclopentylmethoxymethyl)-2,2-dimethyl-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-(cyclopentylmethoxymethyl)-2,2-dimethyl-1,3-dioxolane?
The IUPAC name of 4-(cyclopentylmethoxymethyl)-2,2-dimethyl-1,3-dioxolane (CID 18965526) is 4-(cyclopentylmethoxymethyl)-2,2-dimethyl-1,3-dioxolane.
What is the SMILES notation for 4-(cyclopentylmethoxymethyl)-2,2-dimethyl-1,3-dioxolane?
The canonical SMILES for 4-(cyclopentylmethoxymethyl)-2,2-dimethyl-1,3-dioxolane is CC1(C)OCC(COCC2CCCC2)O1.
What is the InChIKey of 4-(cyclopentylmethoxymethyl)-2,2-dimethyl-1,3-dioxolane?
The InChIKey is RLCDHGWVDFENMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-12(2)14-9-11(15-12)8-13-7-10-5-3-4-6-10/h10-11H,3-9H2,1-2H3.
What are the key properties of 4-(cyclopentylmethoxymethyl)-2,2-dimethyl-1,3-dioxolane?
4-(cyclopentylmethoxymethyl)-2,2-dimethyl-1,3-dioxolane has a molecular weight of 214.30 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylmethoxymethyl)-2,2-dimethyl-1,3-dioxolane is sourced from PubChem (CID 18965526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).