[(3aR,6R,6aS)-2,2,6-trimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]methanol

C10H16O3 — CID 167185640

IUPAC[(3aR,6R,6aS)-2,2,6-trimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]methanol
SMILESC[C@@H]1C=C(CO)[C@H]2OC(C)(C)O[C@@H]12
InChIInChI=1S/C10H16O3/c1-6-4-7(5-11)9-8(6)12-10(2,3)13-9/h4,6,8-9,11H,5H2,1-3H3/t6-,8+,9-/m1/s1
InChIKeyXIVICEOKKNRRHF-BWVDBABLSA-N
MW184.23 g/mol
LogP1.07
Rot. Bonds1

About [(3aR,6R,6aS)-2,2,6-trimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]methanol

[(3aR,6R,6aS)-2,2,6-trimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]methanol (PubChem CID 167185640) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is [(3aR,6R,6aS)-2,2,6-trimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]methanol.

Molecular Properties

Compound Name[(3aR,6R,6aS)-2,2,6-trimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]methanol
PubChem CID167185640
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name[(3aR,6R,6aS)-2,2,6-trimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]methanol
SMILESC[C@@H]1C=C(CO)[C@H]2OC(C)(C)O[C@@H]12
InChIInChI=1S/C10H16O3/c1-6-4-7(5-11)9-8(6)12-10(2,3)13-9/h4,6,8-9,11H,5H2,1-3H3/t6-,8+,9-/m1/s1
InChIKeyXIVICEOKKNRRHF-BWVDBABLSA-N
XLogP1.07
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 [(3aR,6R,6aS)-2,2,6-trimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]methanol?
The IUPAC name of [(3aR,6R,6aS)-2,2,6-trimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]methanol (CID 167185640) is [(3aR,6R,6aS)-2,2,6-trimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]methanol.
What is the SMILES notation for [(3aR,6R,6aS)-2,2,6-trimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]methanol?
The canonical SMILES for [(3aR,6R,6aS)-2,2,6-trimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]methanol is C[C@@H]1C=C(CO)[C@H]2OC(C)(C)O[C@@H]12.
What is the InChIKey of [(3aR,6R,6aS)-2,2,6-trimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]methanol?
The InChIKey is XIVICEOKKNRRHF-BWVDBABLSA-N. The full InChI is InChI=1S/C10H16O3/c1-6-4-7(5-11)9-8(6)12-10(2,3)13-9/h4,6,8-9,11H,5H2,1-3H3/t6-,8+,9-/m1/s1.
What are the key properties of [(3aR,6R,6aS)-2,2,6-trimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]methanol?
[(3aR,6R,6aS)-2,2,6-trimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]methanol has a molecular weight of 184.23 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,6R,6aS)-2,2,6-trimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]methanol is sourced from PubChem (CID 167185640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).