(3aS,4S,6aR)-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-ol

HCID 58329311

Basic information

Standard SMILES
CC1(C)O[C@H]2[C@@H](O)CC[C@H]2O1
InChIKey
PSOOETMCZCWPBV-XVMARJQXSA-N
Molecular formula
C8H14O3
Average molar mass
158.19 g/mol
Monoisotopic mass
158.0942943

Names & identifiers

Preferred name
(3aS,4S,6aR)-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-ol
IUPAC
(3aS,4S,6aR)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-ol

Names & synonyms

SCHEMBL1969869PSOOETMCZCWPBV-XVMARJQXSA-N(3aS,4S,6aR)-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol -4-ol(3aS,4S,6aR)-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-ol

Database identifiers

PubChem CID
58329311
Nikkaji
J2.339.779J

Properties

Computed structural properties

XLogP
0.4
Topological polar surface area
38.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
0
Heavy atoms
11

Related reactions

3 records

Compound notes

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