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

C10H16O2 — CID 91549224

IUPAC2,2-diethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole
SMILESCCC1(CC)OC2C=CCC2O1
InChIInChI=1S/C10H16O2/c1-3-10(4-2)11-8-6-5-7-9(8)12-10/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyBMRMEKNLUIDICJ-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.25
Rot. Bonds2

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

2,2-diethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole (PubChem CID 91549224) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2,2-diethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole.

Molecular Properties

Compound Name2,2-diethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole
PubChem CID91549224
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name2,2-diethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole
SMILESCCC1(CC)OC2C=CCC2O1
InChIInChI=1S/C10H16O2/c1-3-10(4-2)11-8-6-5-7-9(8)12-10/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyBMRMEKNLUIDICJ-UHFFFAOYSA-N
XLogP2.25
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.25
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-diethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole?
The IUPAC name of 2,2-diethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole (CID 91549224) is 2,2-diethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole.
What is the SMILES notation for 2,2-diethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole?
The canonical SMILES for 2,2-diethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole is CCC1(CC)OC2C=CCC2O1.
What is the InChIKey of 2,2-diethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole?
The InChIKey is BMRMEKNLUIDICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-3-10(4-2)11-8-6-5-7-9(8)12-10/h5-6,8-9H,3-4,7H2,1-2H3.
What are the key properties of 2,2-diethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole?
2,2-diethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole has a molecular weight of 168.24 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole is sourced from PubChem (CID 91549224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).