2-(2-methyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)ethanol

C9H14O3 — CID 67841906

IUPAC2-(2-methyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)ethanol
SMILESCC1OC2CC=C(CCO)C2O1
InChIInChI=1S/C9H14O3/c1-6-11-8-3-2-7(4-5-10)9(8)12-6/h2,6,8-10H,3-5H2,1H3
InChIKeyOZPCWDOFTUDKBC-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.83
Rot. Bonds2

About 2-(2-methyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)ethanol

2-(2-methyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)ethanol (PubChem CID 67841906) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is 2-(2-methyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)ethanol.

Molecular Properties

Compound Name2-(2-methyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)ethanol
PubChem CID67841906
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name2-(2-methyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)ethanol
SMILESCC1OC2CC=C(CCO)C2O1
InChIInChI=1S/C9H14O3/c1-6-11-8-3-2-7(4-5-10)9(8)12-6/h2,6,8-10H,3-5H2,1H3
InChIKeyOZPCWDOFTUDKBC-UHFFFAOYSA-N
XLogP0.83
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-methyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)ethanol 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 2-(2-methyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)ethanol?
The IUPAC name of 2-(2-methyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)ethanol (CID 67841906) is 2-(2-methyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)ethanol.
What is the SMILES notation for 2-(2-methyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)ethanol?
The canonical SMILES for 2-(2-methyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)ethanol is CC1OC2CC=C(CCO)C2O1.
What is the InChIKey of 2-(2-methyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)ethanol?
The InChIKey is OZPCWDOFTUDKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c1-6-11-8-3-2-7(4-5-10)9(8)12-6/h2,6,8-10H,3-5H2,1H3.
What are the key properties of 2-(2-methyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)ethanol?
2-(2-methyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)ethanol has a molecular weight of 170.21 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)ethanol is sourced from PubChem (CID 67841906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).