(3aR,6aR)-3,3,6-trimethyl-4,6a-dihydro-3aH-cyclopenta[c]furan-1-one

C10H14O2 — CID 134959312

IUPAC(3aR,6aR)-3,3,6-trimethyl-4,6a-dihydro-3aH-cyclopenta[c]furan-1-one
SMILESCC1=CC[C@@H]2[C@H]1C(=O)OC2(C)C
InChIInChI=1S/C10H14O2/c1-6-4-5-7-8(6)9(11)12-10(7,2)3/h4,7-8H,5H2,1-3H3/t7-,8+/m1/s1
InChIKeyRUPGBDVKBPGLSW-SFYZADRCSA-N
MW166.22 g/mol
LogP1.90
Rot. Bonds

About (3aR,6aR)-3,3,6-trimethyl-4,6a-dihydro-3aH-cyclopenta[c]furan-1-one

(3aR,6aR)-3,3,6-trimethyl-4,6a-dihydro-3aH-cyclopenta[c]furan-1-one (PubChem CID 134959312) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is (3aR,6aR)-3,3,6-trimethyl-4,6a-dihydro-3aH-cyclopenta[c]furan-1-one.

Molecular Properties

Compound Name(3aR,6aR)-3,3,6-trimethyl-4,6a-dihydro-3aH-cyclopenta[c]furan-1-one
PubChem CID134959312
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name(3aR,6aR)-3,3,6-trimethyl-4,6a-dihydro-3aH-cyclopenta[c]furan-1-one
SMILESCC1=CC[C@@H]2[C@H]1C(=O)OC2(C)C
InChIInChI=1S/C10H14O2/c1-6-4-5-7-8(6)9(11)12-10(7,2)3/h4,7-8H,5H2,1-3H3/t7-,8+/m1/s1
InChIKeyRUPGBDVKBPGLSW-SFYZADRCSA-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 (3aR,6aR)-3,3,6-trimethyl-4,6a-dihydro-3aH-cyclopenta[c]furan-1-one with MolForge

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Related Compounds

2(3H)-Furanone, dihydro-5,5-dimethyl-4-(2-methyl-1-propenyl)-
CID 99999
(3aR,7aS)-3,3-dimethyl-3a,4,7,7a-tetrahydro-2-benzofuran-1-one
CID 11084247
(3S,3aR,6aS)-3,6,6a-trimethyl-3a,4-dihydro-3H-cyclopenta[b]furan-2-one
CID 101410414
(3R,3aR,6aS)-3,6,6a-trimethyl-3a,4-dihydro-3H-cyclopenta[b]furan-2-one
CID 163010359
4-Methyl-1,3a,4,6a-tetrahydrocyclopenta[c]furan-3-one
CID 70125178
(3aS,6aR)-6a-methyl-3a,4-dihydro-3H-cyclopenta[b]furan-2-one
CID 10975556
(4r)-4-Ethenyl-5,5-dimethyltetrahydrofuran-2-one
CID 45113698
5,5-dimethyl-4-[(E)-3-methylbut-1-enyl]oxolan-2-one
CID 121220913
(3aR,7aS)-4,7a-dimethyl-3,3a,6,7-tetrahydro-1-benzofuran-2-one
CID 134941858
3-Oxabicyclo[3.3.0]oct-7-en-2-one, 7-methyl-
CID 556325
3-Oxabicyclo[3.3.0]oct-6-en-2-one, 7-methyl-
CID 556777
(3S,3aS,6aR)-3,6,6a-trimethyl-3a,4-dihydro-3H-cyclopenta[b]furan-2-one
CID 163010360

Frequently Asked Questions

What is the IUPAC name of (3aR,6aR)-3,3,6-trimethyl-4,6a-dihydro-3aH-cyclopenta[c]furan-1-one?
The IUPAC name of (3aR,6aR)-3,3,6-trimethyl-4,6a-dihydro-3aH-cyclopenta[c]furan-1-one (CID 134959312) is (3aR,6aR)-3,3,6-trimethyl-4,6a-dihydro-3aH-cyclopenta[c]furan-1-one.
What is the SMILES notation for (3aR,6aR)-3,3,6-trimethyl-4,6a-dihydro-3aH-cyclopenta[c]furan-1-one?
The canonical SMILES for (3aR,6aR)-3,3,6-trimethyl-4,6a-dihydro-3aH-cyclopenta[c]furan-1-one is CC1=CC[C@@H]2[C@H]1C(=O)OC2(C)C.
What is the InChIKey of (3aR,6aR)-3,3,6-trimethyl-4,6a-dihydro-3aH-cyclopenta[c]furan-1-one?
The InChIKey is RUPGBDVKBPGLSW-SFYZADRCSA-N. The full InChI is InChI=1S/C10H14O2/c1-6-4-5-7-8(6)9(11)12-10(7,2)3/h4,7-8H,5H2,1-3H3/t7-,8+/m1/s1.
What are the key properties of (3aR,6aR)-3,3,6-trimethyl-4,6a-dihydro-3aH-cyclopenta[c]furan-1-one?
(3aR,6aR)-3,3,6-trimethyl-4,6a-dihydro-3aH-cyclopenta[c]furan-1-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 (3aR,6aR)-3,3,6-trimethyl-4,6a-dihydro-3aH-cyclopenta[c]furan-1-one is sourced from PubChem (CID 134959312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).