4,6-diethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-2-one

C10H16O3 — CID 20743815

IUPAC4,6-diethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-2-one
SMILESCCC1CC(CC)C2OC(=O)OC12
InChIInChI=1S/C10H16O3/c1-3-6-5-7(4-2)9-8(6)12-10(11)13-9/h6-9H,3-5H2,1-2H3
InChIKeyMPSPOAWZEREPAJ-UHFFFAOYSA-N
MW184.23 g/mol
LogP2.35
Rot. Bonds2

About 4,6-diethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-2-one

4,6-diethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-2-one (PubChem CID 20743815) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 4,6-diethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-2-one.

Molecular Properties

Compound Name4,6-diethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-2-one
PubChem CID20743815
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name4,6-diethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-2-one
SMILESCCC1CC(CC)C2OC(=O)OC12
InChIInChI=1S/C10H16O3/c1-3-6-5-7(4-2)9-8(6)12-10(11)13-9/h6-9H,3-5H2,1-2H3
InChIKeyMPSPOAWZEREPAJ-UHFFFAOYSA-N
XLogP2.35
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-diethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-2-one?
The IUPAC name of 4,6-diethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-2-one (CID 20743815) is 4,6-diethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-2-one.
What is the SMILES notation for 4,6-diethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-2-one?
The canonical SMILES for 4,6-diethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-2-one is CCC1CC(CC)C2OC(=O)OC12.
What is the InChIKey of 4,6-diethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-2-one?
The InChIKey is MPSPOAWZEREPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-3-6-5-7(4-2)9-8(6)12-10(11)13-9/h6-9H,3-5H2,1-2H3.
What are the key properties of 4,6-diethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-2-one?
4,6-diethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-2-one has a molecular weight of 184.23 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-2-one is sourced from PubChem (CID 20743815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).