(3aS,6aS)-6a-methyl-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one

C8H12O2 — CID 10909649

IUPAC(3aS,6aS)-6a-methyl-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one
SMILESC[C@]12CCC[C@H]1CC(=O)O2
InChIInChI=1S/C8H12O2/c1-8-4-2-3-6(8)5-7(9)10-8/h6H,2-5H2,1H3/t6-,8-/m0/s1
InChIKeyYMRRWQZJYFEWQT-XPUUQOCRSA-N
MW140.18 g/mol
LogP1.49
Rot. Bonds

About (3aS,6aS)-6a-methyl-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one

(3aS,6aS)-6a-methyl-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one (PubChem CID 10909649) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is (3aS,6aS)-6a-methyl-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one.

Molecular Properties

Compound Name(3aS,6aS)-6a-methyl-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one
PubChem CID10909649
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name(3aS,6aS)-6a-methyl-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one
SMILESC[C@]12CCC[C@H]1CC(=O)O2
InChIInChI=1S/C8H12O2/c1-8-4-2-3-6(8)5-7(9)10-8/h6H,2-5H2,1H3/t6-,8-/m0/s1
InChIKeyYMRRWQZJYFEWQT-XPUUQOCRSA-N
XLogP1.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3aS,6aS)-6a-methyl-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one with MolForge

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Related Compounds

tetrahydro-1H-cyclopenta(c)furan-1,3(3aH)-dione
CID 98977
cis-tetrahydro-1H-cyclopenta[c]furan-1,3(4H)-dione
CID 10920594
1-Oxaspiro(4.4)nonan-2-one
CID 11007989
(3aS,6aS)-6a-fluoro-4,4-dimethyl-3,3a,5,6-tetrahydrocyclopenta[b]furan-2-one
CID 177851403
(3aS,6R,6aR)-3,3,6-trimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-1-one
CID 11217473
(3S,3aS,6aS)-3-ethyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 139265863
(3R,3aS,6aS)-3-ethyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 139265865
Hexahydro-6,6,6a-trimethyl-2H-cyclopenta(b)furan-2-one
CID 110701
(3aR,4R,5R,6aS)-4-ethyl-5-fluoro-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 59065315
(3aR,4R,5S,6aS)-4-ethyl-5-fluoro-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 59956908
1,4-Dimethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one
CID 12313276
(3aR,6R,6aS)-3,3,6-trimethylhexahydro-1H-cyclopenta[c]furan-1-one
CID 12723402

Frequently Asked Questions

What is the IUPAC name of (3aS,6aS)-6a-methyl-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one?
The IUPAC name of (3aS,6aS)-6a-methyl-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one (CID 10909649) is (3aS,6aS)-6a-methyl-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one.
What is the SMILES notation for (3aS,6aS)-6a-methyl-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one?
The canonical SMILES for (3aS,6aS)-6a-methyl-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one is C[C@]12CCC[C@H]1CC(=O)O2.
What is the InChIKey of (3aS,6aS)-6a-methyl-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one?
The InChIKey is YMRRWQZJYFEWQT-XPUUQOCRSA-N. The full InChI is InChI=1S/C8H12O2/c1-8-4-2-3-6(8)5-7(9)10-8/h6H,2-5H2,1H3/t6-,8-/m0/s1.
What are the key properties of (3aS,6aS)-6a-methyl-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one?
(3aS,6aS)-6a-methyl-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one has a molecular weight of 140.18 g/mol, XLogP of 1.49, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aS)-6a-methyl-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one is sourced from PubChem (CID 10909649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).