(3aS,6aR)-3a-hydroxy-4,5,6a-trimethyl-2,3-dihydrocyclopenta[b]furan-6-one

C10H14O3 — CID 10726105

IUPAC(3aS,6aR)-3a-hydroxy-4,5,6a-trimethyl-2,3-dihydrocyclopenta[b]furan-6-one
SMILESCC1=C(C)[C@@]2(O)CCO[C@@]2(C)C1=O
InChIInChI=1S/C10H14O3/c1-6-7(2)10(12)4-5-13-9(10,3)8(6)11/h12H,4-5H2,1-3H3/t9-,10-/m0/s1
InChIKeyGZLOYGNKOOQICR-UWVGGRQHSA-N
MW182.22 g/mol
LogP0.82
Rot. Bonds

About (3aS,6aR)-3a-hydroxy-4,5,6a-trimethyl-2,3-dihydrocyclopenta[b]furan-6-one

(3aS,6aR)-3a-hydroxy-4,5,6a-trimethyl-2,3-dihydrocyclopenta[b]furan-6-one (PubChem CID 10726105) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is (3aS,6aR)-3a-hydroxy-4,5,6a-trimethyl-2,3-dihydrocyclopenta[b]furan-6-one.

Molecular Properties

Compound Name(3aS,6aR)-3a-hydroxy-4,5,6a-trimethyl-2,3-dihydrocyclopenta[b]furan-6-one
PubChem CID10726105
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name(3aS,6aR)-3a-hydroxy-4,5,6a-trimethyl-2,3-dihydrocyclopenta[b]furan-6-one
SMILESCC1=C(C)[C@@]2(O)CCO[C@@]2(C)C1=O
InChIInChI=1S/C10H14O3/c1-6-7(2)10(12)4-5-13-9(10,3)8(6)11/h12H,4-5H2,1-3H3/t9-,10-/m0/s1
InChIKeyGZLOYGNKOOQICR-UWVGGRQHSA-N
XLogP0.82
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3aS,6aR)-3a-hydroxy-4,5,6a-trimethyl-2,3-dihydrocyclopenta[b]furan-6-one?
The IUPAC name of (3aS,6aR)-3a-hydroxy-4,5,6a-trimethyl-2,3-dihydrocyclopenta[b]furan-6-one (CID 10726105) is (3aS,6aR)-3a-hydroxy-4,5,6a-trimethyl-2,3-dihydrocyclopenta[b]furan-6-one.
What is the SMILES notation for (3aS,6aR)-3a-hydroxy-4,5,6a-trimethyl-2,3-dihydrocyclopenta[b]furan-6-one?
The canonical SMILES for (3aS,6aR)-3a-hydroxy-4,5,6a-trimethyl-2,3-dihydrocyclopenta[b]furan-6-one is CC1=C(C)[C@@]2(O)CCO[C@@]2(C)C1=O.
What is the InChIKey of (3aS,6aR)-3a-hydroxy-4,5,6a-trimethyl-2,3-dihydrocyclopenta[b]furan-6-one?
The InChIKey is GZLOYGNKOOQICR-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H14O3/c1-6-7(2)10(12)4-5-13-9(10,3)8(6)11/h12H,4-5H2,1-3H3/t9-,10-/m0/s1.
What are the key properties of (3aS,6aR)-3a-hydroxy-4,5,6a-trimethyl-2,3-dihydrocyclopenta[b]furan-6-one?
(3aS,6aR)-3a-hydroxy-4,5,6a-trimethyl-2,3-dihydrocyclopenta[b]furan-6-one has a molecular weight of 182.22 g/mol, XLogP of 0.82, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aR)-3a-hydroxy-4,5,6a-trimethyl-2,3-dihydrocyclopenta[b]furan-6-one is sourced from PubChem (CID 10726105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).