(6aR)-2,2-diethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one

C10H14O3 — CID 58451180

IUPAC(6aR)-2,2-diethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one
SMILESCCC1(CC)OC2C(=O)C=C[C@H]2O1
InChIInChI=1S/C10H14O3/c1-3-10(4-2)12-8-6-5-7(11)9(8)13-10/h5-6,8-9H,3-4H2,1-2H3/t8-,9?/m1/s1
InChIKeyZWTFAGHMEQBVCD-VEDVMXKPSA-N
MW182.22 g/mol
LogP1.43
Rot. Bonds2

About (6aR)-2,2-diethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one

(6aR)-2,2-diethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one (PubChem CID 58451180) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is (6aR)-2,2-diethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one.

Molecular Properties

Compound Name(6aR)-2,2-diethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one
PubChem CID58451180
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name(6aR)-2,2-diethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one
SMILESCCC1(CC)OC2C(=O)C=C[C@H]2O1
InChIInChI=1S/C10H14O3/c1-3-10(4-2)12-8-6-5-7(11)9(8)13-10/h5-6,8-9H,3-4H2,1-2H3/t8-,9?/m1/s1
InChIKeyZWTFAGHMEQBVCD-VEDVMXKPSA-N
XLogP1.43
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6aR)-2,2-diethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one?
The IUPAC name of (6aR)-2,2-diethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one (CID 58451180) is (6aR)-2,2-diethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one.
What is the SMILES notation for (6aR)-2,2-diethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one?
The canonical SMILES for (6aR)-2,2-diethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one is CCC1(CC)OC2C(=O)C=C[C@H]2O1.
What is the InChIKey of (6aR)-2,2-diethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one?
The InChIKey is ZWTFAGHMEQBVCD-VEDVMXKPSA-N. The full InChI is InChI=1S/C10H14O3/c1-3-10(4-2)12-8-6-5-7(11)9(8)13-10/h5-6,8-9H,3-4H2,1-2H3/t8-,9?/m1/s1.
What are the key properties of (6aR)-2,2-diethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one?
(6aR)-2,2-diethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one has a molecular weight of 182.22 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR)-2,2-diethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one is sourced from PubChem (CID 58451180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).