(4S,6aS)-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-ol

C8H12O3 — CID 89411642

IUPAC(4S,6aS)-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-ol
SMILESCC1(C)OC2[C@H](C=C[C@@H]2O)O1
InChIInChI=1S/C8H12O3/c1-8(2)10-6-4-3-5(9)7(6)11-8/h3-7,9H,1-2H3/t5-,6-,7?/m0/s1
InChIKeyFXOFSGSXPYHEMV-WABBHOIFSA-N
MW156.18 g/mol
LogP0.44
Rot. Bonds

About (4S,6aS)-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-ol

(4S,6aS)-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-ol (PubChem CID 89411642) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is (4S,6aS)-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-ol.

Molecular Properties

Compound Name(4S,6aS)-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-ol
PubChem CID89411642
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name(4S,6aS)-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-ol
SMILESCC1(C)OC2[C@H](C=C[C@@H]2O)O1
InChIInChI=1S/C8H12O3/c1-8(2)10-6-4-3-5(9)7(6)11-8/h3-7,9H,1-2H3/t5-,6-,7?/m0/s1
InChIKeyFXOFSGSXPYHEMV-WABBHOIFSA-N
XLogP0.44
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4S,6aS)-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-ol with MolForge

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Related Compounds

(3aS,4S,7S,7aS)-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxole-4,7-diol
CID 14185483
(3aS,5aR,8aR,8bS)-2,2,7,7-tetramethyl-3a,5a,8a,8b-tetrahydro-[1,3]dioxolo[4,5-g][1,3]benzodioxole
CID 10489426
(3aR,6aS)-spiro[4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole-2,1'-cyclohexane]-4-ol
CID 102251763
2-amino-1-[(4S)-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]ethanol
CID 130245188
(1R,2S,3R,7S,8R,9R,10S)-5,5-dimethyl-4,6,11,12-tetraoxatetracyclo[8.2.2.02,9.03,7]tetradec-13-en-8-ol
CID 101380507
(3R,7S,9S)-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecane-2,8-diol
CID 163285082
[(3aR,4R,7aR)-2,2-dimethyl-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methanol
CID 10943172
4,4-dimethyl-3,5-dioxatricyclo[5.3.1.02,6]undec-9-en-8-ol
CID 72760608
[(6aS)-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl] methyl carbonate
CID 130245409
(4S,5S)-2,2-dimethyl-1,3-dioxolane-4,5-diol
CID 101384233
N-[(3aR,4S,6aS)-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]benzamide
CID 10858189
(3aR,4S,5R,6R,7R,7aS)-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-4,5,6,7-tetrol
CID 10398539

Frequently Asked Questions

What is the IUPAC name of (4S,6aS)-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-ol?
The IUPAC name of (4S,6aS)-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-ol (CID 89411642) is (4S,6aS)-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-ol.
What is the SMILES notation for (4S,6aS)-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-ol?
The canonical SMILES for (4S,6aS)-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-ol is CC1(C)OC2[C@H](C=C[C@@H]2O)O1.
What is the InChIKey of (4S,6aS)-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-ol?
The InChIKey is FXOFSGSXPYHEMV-WABBHOIFSA-N. The full InChI is InChI=1S/C8H12O3/c1-8(2)10-6-4-3-5(9)7(6)11-8/h3-7,9H,1-2H3/t5-,6-,7?/m0/s1.
What are the key properties of (4S,6aS)-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-ol?
(4S,6aS)-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-ol has a molecular weight of 156.18 g/mol, XLogP of 0.44, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6aS)-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-ol is sourced from PubChem (CID 89411642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).