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

C10H16O4 — CID 130231011

IUPAC1-[(3aR,4S)-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]ethane-1,2-diol
SMILESCC1(C)OC2C=C[C@@H](C(O)CO)[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-DFAZKQQPSA-N
MW200.23 g/mol
LogP0.05
Rot. Bonds2

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

1-[(3aR,4S)-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]ethane-1,2-diol (PubChem CID 130231011) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is 1-[(3aR,4S)-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]ethane-1,2-diol.

Molecular Properties

Compound Name1-[(3aR,4S)-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]ethane-1,2-diol
PubChem CID130231011
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name1-[(3aR,4S)-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]ethane-1,2-diol
SMILESCC1(C)OC2C=C[C@@H](C(O)CO)[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-DFAZKQQPSA-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'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(3aR,4S)-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]ethane-1,2-diol?
The IUPAC name of 1-[(3aR,4S)-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]ethane-1,2-diol (CID 130231011) is 1-[(3aR,4S)-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]ethane-1,2-diol.
What is the SMILES notation for 1-[(3aR,4S)-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]ethane-1,2-diol?
The canonical SMILES for 1-[(3aR,4S)-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]ethane-1,2-diol is CC1(C)OC2C=C[C@@H](C(O)CO)[C@H]2O1.
What is the InChIKey of 1-[(3aR,4S)-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]ethane-1,2-diol?
The InChIKey is ZXHXOPKPQHDHST-DFAZKQQPSA-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 1-[(3aR,4S)-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]ethane-1,2-diol?
1-[(3aR,4S)-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 1-[(3aR,4S)-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]ethane-1,2-diol is sourced from PubChem (CID 130231011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).