(3aS,4R,6aR)-4-ethenyl-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole

C10H14O2 — CID 59608029

IUPAC(3aS,4R,6aR)-4-ethenyl-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole
SMILESC=C[C@@H]1C=C[C@H]2OC(C)(C)O[C@@H]12
InChIInChI=1S/C10H14O2/c1-4-7-5-6-8-9(7)12-10(2,3)11-8/h4-9H,1H2,2-3H3/t7-,8-,9+/m1/s1
InChIKeyHDPNKNJBOPMIFM-HLTSFMKQSA-N
MW166.22 g/mol
LogP1.88
Rot. Bonds1

About (3aS,4R,6aR)-4-ethenyl-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole

(3aS,4R,6aR)-4-ethenyl-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole (PubChem CID 59608029) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is (3aS,4R,6aR)-4-ethenyl-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole.

Molecular Properties

Compound Name(3aS,4R,6aR)-4-ethenyl-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole
PubChem CID59608029
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name(3aS,4R,6aR)-4-ethenyl-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole
SMILESC=C[C@@H]1C=C[C@H]2OC(C)(C)O[C@@H]12
InChIInChI=1S/C10H14O2/c1-4-7-5-6-8-9(7)12-10(2,3)11-8/h4-9H,1H2,2-3H3/t7-,8-,9+/m1/s1
InChIKeyHDPNKNJBOPMIFM-HLTSFMKQSA-N
XLogP1.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (3aS,4R,6aR)-4-ethenyl-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole?
The IUPAC name of (3aS,4R,6aR)-4-ethenyl-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole (CID 59608029) is (3aS,4R,6aR)-4-ethenyl-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole.
What is the SMILES notation for (3aS,4R,6aR)-4-ethenyl-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole?
The canonical SMILES for (3aS,4R,6aR)-4-ethenyl-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole is C=C[C@@H]1C=C[C@H]2OC(C)(C)O[C@@H]12.
What is the InChIKey of (3aS,4R,6aR)-4-ethenyl-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole?
The InChIKey is HDPNKNJBOPMIFM-HLTSFMKQSA-N. The full InChI is InChI=1S/C10H14O2/c1-4-7-5-6-8-9(7)12-10(2,3)11-8/h4-9H,1H2,2-3H3/t7-,8-,9+/m1/s1.
What are the key properties of (3aS,4R,6aR)-4-ethenyl-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole?
(3aS,4R,6aR)-4-ethenyl-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole has a molecular weight of 166.22 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,4R,6aR)-4-ethenyl-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole is sourced from PubChem (CID 59608029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).