(3S,3aS,6aR)-3,6,6a-trimethyl-3a,4-dihydro-3H-cyclopenta[b]furan-2-one

C10H14O2 — CID 163010360

IUPAC(3S,3aS,6aR)-3,6,6a-trimethyl-3a,4-dihydro-3H-cyclopenta[b]furan-2-one
SMILESCC1=CC[C@H]2[C@H](C)C(=O)O[C@@]12C
InChIInChI=1S/C10H14O2/c1-6-4-5-8-7(2)9(11)12-10(6,8)3/h4,7-8H,5H2,1-3H3/t7-,8-,10-/m0/s1
InChIKeyORSRMFUEDMCTJU-NRPADANISA-N
MW166.22 g/mol
LogP1.90
Rot. Bonds

About (3S,3aS,6aR)-3,6,6a-trimethyl-3a,4-dihydro-3H-cyclopenta[b]furan-2-one

(3S,3aS,6aR)-3,6,6a-trimethyl-3a,4-dihydro-3H-cyclopenta[b]furan-2-one (PubChem CID 163010360) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is (3S,3aS,6aR)-3,6,6a-trimethyl-3a,4-dihydro-3H-cyclopenta[b]furan-2-one.

Molecular Properties

Compound Name(3S,3aS,6aR)-3,6,6a-trimethyl-3a,4-dihydro-3H-cyclopenta[b]furan-2-one
PubChem CID163010360
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name(3S,3aS,6aR)-3,6,6a-trimethyl-3a,4-dihydro-3H-cyclopenta[b]furan-2-one
SMILESCC1=CC[C@H]2[C@H](C)C(=O)O[C@@]12C
InChIInChI=1S/C10H14O2/c1-6-4-5-8-7(2)9(11)12-10(6,8)3/h4,7-8H,5H2,1-3H3/t7-,8-,10-/m0/s1
InChIKeyORSRMFUEDMCTJU-NRPADANISA-N
XLogP1.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (3S,3aS,6aR)-3,6,6a-trimethyl-3a,4-dihydro-3H-cyclopenta[b]furan-2-one with MolForge

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Related Compounds

(3S,3aR,6aS)-3,6,6a-trimethyl-3a,4-dihydro-3H-cyclopenta[b]furan-2-one
CID 101410414
(5R)-5-methyl-5-[(E,3S)-6-oxo-3-propan-2-ylhept-1-enyl]oxolan-2-one
CID 162907181
(5R)-5-methyl-5-[(E,3R)-6-oxo-3-propan-2-ylhept-1-enyl]oxolan-2-one
CID 162907183
(3R,3aR,6aS)-3,6,6a-trimethyl-3a,4-dihydro-3H-cyclopenta[b]furan-2-one
CID 163010359
4,4,7a-Trimethyl (3h)-benzofuranone
CID 70541268
(7S)-10-oxo-4-methyl-7-isopropyl-(5E)-undecen-4-olide
CID 6443562
3,10-dimethyl-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-2-one
CID 163022611
7,7a-Dimethyl-3a,4,5,7a-tetrahydro-3H-benzofuran-2-one
CID 539813
4,6-Dimethyl-4-hydroxyhept-5-enoic acid lactone
CID 567177
(3S,3aS,6aS)-3-Methyl-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan-2-one
CID 85203902
(3S,3aS,6aS)-3-methyl-3,3a,4,6a-tetrahydrocyclopenta[b]furan-2-one
CID 10606802
(3aS,6aR)-6a-methyl-3a,4-dihydro-3H-cyclopenta[b]furan-2-one
CID 10975556

Frequently Asked Questions

What is the IUPAC name of (3S,3aS,6aR)-3,6,6a-trimethyl-3a,4-dihydro-3H-cyclopenta[b]furan-2-one?
The IUPAC name of (3S,3aS,6aR)-3,6,6a-trimethyl-3a,4-dihydro-3H-cyclopenta[b]furan-2-one (CID 163010360) is (3S,3aS,6aR)-3,6,6a-trimethyl-3a,4-dihydro-3H-cyclopenta[b]furan-2-one.
What is the SMILES notation for (3S,3aS,6aR)-3,6,6a-trimethyl-3a,4-dihydro-3H-cyclopenta[b]furan-2-one?
The canonical SMILES for (3S,3aS,6aR)-3,6,6a-trimethyl-3a,4-dihydro-3H-cyclopenta[b]furan-2-one is CC1=CC[C@H]2[C@H](C)C(=O)O[C@@]12C.
What is the InChIKey of (3S,3aS,6aR)-3,6,6a-trimethyl-3a,4-dihydro-3H-cyclopenta[b]furan-2-one?
The InChIKey is ORSRMFUEDMCTJU-NRPADANISA-N. The full InChI is InChI=1S/C10H14O2/c1-6-4-5-8-7(2)9(11)12-10(6,8)3/h4,7-8H,5H2,1-3H3/t7-,8-,10-/m0/s1.
What are the key properties of (3S,3aS,6aR)-3,6,6a-trimethyl-3a,4-dihydro-3H-cyclopenta[b]furan-2-one?
(3S,3aS,6aR)-3,6,6a-trimethyl-3a,4-dihydro-3H-cyclopenta[b]furan-2-one has a molecular weight of 166.22 g/mol, XLogP of 1.90, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,3aS,6aR)-3,6,6a-trimethyl-3a,4-dihydro-3H-cyclopenta[b]furan-2-one is sourced from PubChem (CID 163010360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).