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

C10H16O3 — CID 67841871

IUPAC2-(2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)ethanol
SMILESCC1(C)OC2CC=C(CCO)C2O1
InChIInChI=1S/C10H16O3/c1-10(2)12-8-4-3-7(5-6-11)9(8)13-10/h3,8-9,11H,4-6H2,1-2H3
InChIKeyYUJDHQOREUBSJS-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.22
Rot. Bonds2

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

2-(2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)ethanol (PubChem CID 67841871) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 2-(2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)ethanol.

Molecular Properties

Compound Name2-(2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)ethanol
PubChem CID67841871
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name2-(2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)ethanol
SMILESCC1(C)OC2CC=C(CCO)C2O1
InChIInChI=1S/C10H16O3/c1-10(2)12-8-4-3-7(5-6-11)9(8)13-10/h3,8-9,11H,4-6H2,1-2H3
InChIKeyYUJDHQOREUBSJS-UHFFFAOYSA-N
XLogP1.22
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)ethanol?
The IUPAC name of 2-(2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)ethanol (CID 67841871) is 2-(2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)ethanol.
What is the SMILES notation for 2-(2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)ethanol?
The canonical SMILES for 2-(2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)ethanol is CC1(C)OC2CC=C(CCO)C2O1.
What is the InChIKey of 2-(2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)ethanol?
The InChIKey is YUJDHQOREUBSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-10(2)12-8-4-3-7(5-6-11)9(8)13-10/h3,8-9,11H,4-6H2,1-2H3.
What are the key properties of 2-(2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)ethanol?
2-(2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)ethanol has a molecular weight of 184.23 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)ethanol is sourced from PubChem (CID 67841871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).