(1R)-1-[(3aS,4S,6aR)-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]ethane-1,2-diol

C10H16O4 — CID 130226850

IUPAC(1R)-1-[(3aS,4S,6aR)-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]ethane-1,2-diol
SMILESCC1(C)O[C@H]2[C@H]([C@@H](O)CO)C=C[C@H]2O1
InChIInChI=1S/C10H16O4/c1-10(2)13-8-4-3-6(7(12)5-11)9(8)14-10/h3-4,6-9,11-12H,5H2,1-2H3/t6-,7-,8+,9-/m0/s1
InChIKeyZXHXOPKPQHDHST-MAUMQABQSA-N
MW200.23 g/mol
LogP0.05
Rot. Bonds2

About (1R)-1-[(3aS,4S,6aR)-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]ethane-1,2-diol

(1R)-1-[(3aS,4S,6aR)-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]ethane-1,2-diol (PubChem CID 130226850) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is (1R)-1-[(3aS,4S,6aR)-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]ethane-1,2-diol.

Molecular Properties

Compound Name(1R)-1-[(3aS,4S,6aR)-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]ethane-1,2-diol
PubChem CID130226850
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name(1R)-1-[(3aS,4S,6aR)-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]ethane-1,2-diol
SMILESCC1(C)O[C@H]2[C@H]([C@@H](O)CO)C=C[C@H]2O1
InChIInChI=1S/C10H16O4/c1-10(2)13-8-4-3-6(7(12)5-11)9(8)14-10/h3-4,6-9,11-12H,5H2,1-2H3/t6-,7-,8+,9-/m0/s1
InChIKeyZXHXOPKPQHDHST-MAUMQABQSA-N
XLogP0.05
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1R)-1-[(3aS,4S,6aR)-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]ethane-1,2-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(3aS,4S,6aR)-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]ethane-1,2-diol?
The IUPAC name of (1R)-1-[(3aS,4S,6aR)-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]ethane-1,2-diol (CID 130226850) is (1R)-1-[(3aS,4S,6aR)-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]ethane-1,2-diol.
What is the SMILES notation for (1R)-1-[(3aS,4S,6aR)-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]ethane-1,2-diol?
The canonical SMILES for (1R)-1-[(3aS,4S,6aR)-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]ethane-1,2-diol is CC1(C)O[C@H]2[C@H]([C@@H](O)CO)C=C[C@H]2O1.
What is the InChIKey of (1R)-1-[(3aS,4S,6aR)-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]ethane-1,2-diol?
The InChIKey is ZXHXOPKPQHDHST-MAUMQABQSA-N. The full InChI is InChI=1S/C10H16O4/c1-10(2)13-8-4-3-6(7(12)5-11)9(8)14-10/h3-4,6-9,11-12H,5H2,1-2H3/t6-,7-,8+,9-/m0/s1.
What are the key properties of (1R)-1-[(3aS,4S,6aR)-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]ethane-1,2-diol?
(1R)-1-[(3aS,4S,6aR)-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]ethane-1,2-diol has a molecular weight of 200.23 g/mol, XLogP of 0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(3aS,4S,6aR)-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]ethane-1,2-diol is sourced from PubChem (CID 130226850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).