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

C10H14O5 — CID 59608008

IUPAC[(3aR,4S,6aR)-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl] methyl carbonate
SMILESCOC(=O)O[C@H]1C=C[C@H]2OC(C)(C)O[C@@H]12
InChIInChI=1S/C10H14O5/c1-10(2)14-7-5-4-6(8(7)15-10)13-9(11)12-3/h4-8H,1-3H3/t6-,7+,8-/m0/s1
InChIKeyUQIJNIAYOZGQCV-RNJXMRFFSA-N
MW214.22 g/mol
LogP1.23
Rot. Bonds1

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

[(3aR,4S,6aR)-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl] methyl carbonate (PubChem CID 59608008) has the molecular formula C10H14O5 and a molecular weight of 214.22 g/mol. Its IUPAC name is [(3aR,4S,6aR)-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl] methyl carbonate.

Molecular Properties

Compound Name[(3aR,4S,6aR)-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl] methyl carbonate
PubChem CID59608008
Molecular FormulaC10H14O5
Molecular Weight214.22 g/mol
Exact Mass214.08
IUPAC Name[(3aR,4S,6aR)-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl] methyl carbonate
SMILESCOC(=O)O[C@H]1C=C[C@H]2OC(C)(C)O[C@@H]12
InChIInChI=1S/C10H14O5/c1-10(2)14-7-5-4-6(8(7)15-10)13-9(11)12-3/h4-8H,1-3H3/t6-,7+,8-/m0/s1
InChIKeyUQIJNIAYOZGQCV-RNJXMRFFSA-N
XLogP1.23
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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,4S,6aR)-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl] methyl carbonate?
The IUPAC name of [(3aR,4S,6aR)-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl] methyl carbonate (CID 59608008) is [(3aR,4S,6aR)-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl] methyl carbonate.
What is the SMILES notation for [(3aR,4S,6aR)-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl] methyl carbonate?
The canonical SMILES for [(3aR,4S,6aR)-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl] methyl carbonate is COC(=O)O[C@H]1C=C[C@H]2OC(C)(C)O[C@@H]12.
What is the InChIKey of [(3aR,4S,6aR)-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl] methyl carbonate?
The InChIKey is UQIJNIAYOZGQCV-RNJXMRFFSA-N. The full InChI is InChI=1S/C10H14O5/c1-10(2)14-7-5-4-6(8(7)15-10)13-9(11)12-3/h4-8H,1-3H3/t6-,7+,8-/m0/s1.
What are the key properties of [(3aR,4S,6aR)-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl] methyl carbonate?
[(3aR,4S,6aR)-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl] methyl carbonate has a molecular weight of 214.22 g/mol, XLogP of 1.23, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,4S,6aR)-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl] methyl carbonate is sourced from PubChem (CID 59608008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).