(3aR,6aS)-spiro[4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole-2,1'-cyclohexane]-4-ol

C11H16O3 — CID 102251763

IUPAC(3aR,6aS)-spiro[4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole-2,1'-cyclohexane]-4-ol
SMILESOC1C=C[C@@H]2OC3(CCCCC3)O[C@H]12
InChIInChI=1S/C11H16O3/c12-8-4-5-9-10(8)14-11(13-9)6-2-1-3-7-11/h4-5,8-10,12H,1-3,6-7H2/t8?,9-,10+/m0/s1
InChIKeyFYJRUPQDMJWTJJ-CBMCFHRWSA-N
MW196.25 g/mol
LogP1.36
Rot. Bonds

About (3aR,6aS)-spiro[4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole-2,1'-cyclohexane]-4-ol

(3aR,6aS)-spiro[4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole-2,1'-cyclohexane]-4-ol (PubChem CID 102251763) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is (3aR,6aS)-spiro[4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole-2,1'-cyclohexane]-4-ol.

Molecular Properties

Compound Name(3aR,6aS)-spiro[4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole-2,1'-cyclohexane]-4-ol
PubChem CID102251763
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name(3aR,6aS)-spiro[4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole-2,1'-cyclohexane]-4-ol
SMILESOC1C=C[C@@H]2OC3(CCCCC3)O[C@H]12
InChIInChI=1S/C11H16O3/c12-8-4-5-9-10(8)14-11(13-9)6-2-1-3-7-11/h4-5,8-10,12H,1-3,6-7H2/t8?,9-,10+/m0/s1
InChIKeyFYJRUPQDMJWTJJ-CBMCFHRWSA-N
XLogP1.36
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3aR,6aS)-spiro[4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole-2,1'-cyclohexane]-4-ol 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 (3aR,6aS)-spiro[4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole-2,1'-cyclohexane]-4-ol?
The IUPAC name of (3aR,6aS)-spiro[4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole-2,1'-cyclohexane]-4-ol (CID 102251763) is (3aR,6aS)-spiro[4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole-2,1'-cyclohexane]-4-ol.
What is the SMILES notation for (3aR,6aS)-spiro[4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole-2,1'-cyclohexane]-4-ol?
The canonical SMILES for (3aR,6aS)-spiro[4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole-2,1'-cyclohexane]-4-ol is OC1C=C[C@@H]2OC3(CCCCC3)O[C@H]12.
What is the InChIKey of (3aR,6aS)-spiro[4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole-2,1'-cyclohexane]-4-ol?
The InChIKey is FYJRUPQDMJWTJJ-CBMCFHRWSA-N. The full InChI is InChI=1S/C11H16O3/c12-8-4-5-9-10(8)14-11(13-9)6-2-1-3-7-11/h4-5,8-10,12H,1-3,6-7H2/t8?,9-,10+/m0/s1.
What are the key properties of (3aR,6aS)-spiro[4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole-2,1'-cyclohexane]-4-ol?
(3aR,6aS)-spiro[4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole-2,1'-cyclohexane]-4-ol has a molecular weight of 196.25 g/mol, XLogP of 1.36, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aS)-spiro[4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole-2,1'-cyclohexane]-4-ol is sourced from PubChem (CID 102251763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).