(3aS,6aR)-3a-methyl-4,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one

C8H12O2 — CID 134933988

IUPAC(3aS,6aR)-3a-methyl-4,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one
SMILESC[C@]12CCC[C@H]1COC2=O
InChIInChI=1S/C8H12O2/c1-8-4-2-3-6(8)5-10-7(8)9/h6H,2-5H2,1H3/t6-,8-/m0/s1
InChIKeyCVUJWRWBADAKOC-XPUUQOCRSA-N
MW140.18 g/mol
LogP1.35
Rot. Bonds

About (3aS,6aR)-3a-methyl-4,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one

(3aS,6aR)-3a-methyl-4,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one (PubChem CID 134933988) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is (3aS,6aR)-3a-methyl-4,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one.

Molecular Properties

Compound Name(3aS,6aR)-3a-methyl-4,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one
PubChem CID134933988
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name(3aS,6aR)-3a-methyl-4,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one
SMILESC[C@]12CCC[C@H]1COC2=O
InChIInChI=1S/C8H12O2/c1-8-4-2-3-6(8)5-10-7(8)9/h6H,2-5H2,1H3/t6-,8-/m0/s1
InChIKeyCVUJWRWBADAKOC-XPUUQOCRSA-N
XLogP1.35
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 ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9,9-Dimethyl-2-oxaspiro[4.4]nonan-1-one
CID 10352086
6-Methyl-2-oxaspiro[4.4]nonane-1-one
CID 10511073
2-Oxaspiro(4,4)nonan-3-one
CID 21957
(6S,9R)-6,9-dimethyl-2-oxaspiro[4.4]nonan-1-one
CID 10080772
(6S,9S)-6,9-dimethyl-2-oxaspiro[4.4]nonan-1-one
CID 71450817
Ethyl 2,2-dimethylcyclopentane-1-carboxylate
CID 10630992
(3aS,6aS)-6a-fluoro-4,4-dimethyl-3,3a,5,6-tetrahydrocyclopenta[b]furan-2-one
CID 177851403
(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
(1S,5R)-3-Oxabicyclo[3.3.0]octane-2-one
CID 11007905
Hexahydro-1H-cyclopenta[c]furan-1-one
CID 12648864
Ethyl 2-tert-butylcyclopentane-1-carboxylate
CID 58974878

Frequently Asked Questions

What is the IUPAC name of (3aS,6aR)-3a-methyl-4,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one?
The IUPAC name of (3aS,6aR)-3a-methyl-4,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one (CID 134933988) is (3aS,6aR)-3a-methyl-4,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one.
What is the SMILES notation for (3aS,6aR)-3a-methyl-4,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one?
The canonical SMILES for (3aS,6aR)-3a-methyl-4,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one is C[C@]12CCC[C@H]1COC2=O.
What is the InChIKey of (3aS,6aR)-3a-methyl-4,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one?
The InChIKey is CVUJWRWBADAKOC-XPUUQOCRSA-N. The full InChI is InChI=1S/C8H12O2/c1-8-4-2-3-6(8)5-10-7(8)9/h6H,2-5H2,1H3/t6-,8-/m0/s1.
What are the key properties of (3aS,6aR)-3a-methyl-4,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one?
(3aS,6aR)-3a-methyl-4,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one has a molecular weight of 140.18 g/mol, XLogP of 1.35, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aR)-3a-methyl-4,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one is sourced from PubChem (CID 134933988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).