2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole

C8H12O2 — CID 67840493

IUPAC2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole
SMILESCC1(C)OC2C=CCC2O1
InChIInChI=1S/C8H12O2/c1-8(2)9-6-4-3-5-7(6)10-8/h3-4,6-7H,5H2,1-2H3
InChIKeyOJSDZLBDJCNEJK-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.47
Rot. Bonds

About 2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole

2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole (PubChem CID 67840493) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole.

Molecular Properties

Compound Name2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole
PubChem CID67840493
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole
SMILESCC1(C)OC2C=CCC2O1
InChIInChI=1S/C8H12O2/c1-8(2)9-6-4-3-5-7(6)10-8/h3-4,6-7H,5H2,1-2H3
InChIKeyOJSDZLBDJCNEJK-UHFFFAOYSA-N
XLogP1.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.47
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 2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole?
The IUPAC name of 2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole (CID 67840493) is 2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole.
What is the SMILES notation for 2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole?
The canonical SMILES for 2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole is CC1(C)OC2C=CCC2O1.
What is the InChIKey of 2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole?
The InChIKey is OJSDZLBDJCNEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-8(2)9-6-4-3-5-7(6)10-8/h3-4,6-7H,5H2,1-2H3.
What are the key properties of 2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole?
2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole has a molecular weight of 140.18 g/mol, XLogP of 1.47, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole is sourced from PubChem (CID 67840493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).