(6S,6aS)-6-ethyl-2,2-dimethyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one

C10H16O3 — CID 59361056

IUPAC(6S,6aS)-6-ethyl-2,2-dimethyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one
SMILESCC[C@H]1CC(=O)C2OC(C)(C)O[C@H]21
InChIInChI=1S/C10H16O3/c1-4-6-5-7(11)9-8(6)12-10(2,3)13-9/h6,8-9H,4-5H2,1-3H3/t6-,8-,9?/m0/s1
InChIKeyZAQBIPDAKUUWRN-ICIOHDDNSA-N
MW184.23 g/mol
LogP1.51
Rot. Bonds1

About (6S,6aS)-6-ethyl-2,2-dimethyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one

(6S,6aS)-6-ethyl-2,2-dimethyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one (PubChem CID 59361056) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is (6S,6aS)-6-ethyl-2,2-dimethyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one.

Molecular Properties

Compound Name(6S,6aS)-6-ethyl-2,2-dimethyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one
PubChem CID59361056
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name(6S,6aS)-6-ethyl-2,2-dimethyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one
SMILESCC[C@H]1CC(=O)C2OC(C)(C)O[C@H]21
InChIInChI=1S/C10H16O3/c1-4-6-5-7(11)9-8(6)12-10(2,3)13-9/h6,8-9H,4-5H2,1-3H3/t6-,8-,9?/m0/s1
InChIKeyZAQBIPDAKUUWRN-ICIOHDDNSA-N
XLogP1.51
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6S,6aS)-6-ethyl-2,2-dimethyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one?
The IUPAC name of (6S,6aS)-6-ethyl-2,2-dimethyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one (CID 59361056) is (6S,6aS)-6-ethyl-2,2-dimethyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one.
What is the SMILES notation for (6S,6aS)-6-ethyl-2,2-dimethyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one?
The canonical SMILES for (6S,6aS)-6-ethyl-2,2-dimethyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one is CC[C@H]1CC(=O)C2OC(C)(C)O[C@H]21.
What is the InChIKey of (6S,6aS)-6-ethyl-2,2-dimethyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one?
The InChIKey is ZAQBIPDAKUUWRN-ICIOHDDNSA-N. The full InChI is InChI=1S/C10H16O3/c1-4-6-5-7(11)9-8(6)12-10(2,3)13-9/h6,8-9H,4-5H2,1-3H3/t6-,8-,9?/m0/s1.
What are the key properties of (6S,6aS)-6-ethyl-2,2-dimethyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one?
(6S,6aS)-6-ethyl-2,2-dimethyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one has a molecular weight of 184.23 g/mol, XLogP of 1.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,6aS)-6-ethyl-2,2-dimethyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one is sourced from PubChem (CID 59361056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).