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

C10H16O2 — CID 101139038

IUPAC(3aR,6aR)-3,3,6a-trimethyl-3a,4,5,6-tetrahydrocyclopenta[b]furan-2-one
SMILESCC1(C)C(=O)O[C@]2(C)CCC[C@H]12
InChIInChI=1S/C10H16O2/c1-9(2)7-5-4-6-10(7,3)12-8(9)11/h7H,4-6H2,1-3H3/t7-,10-/m1/s1
InChIKeyHMXQLOGGDUUJFF-GMSGAONNSA-N
MW168.24 g/mol
LogP2.13
Rot. Bonds

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

(3aR,6aR)-3,3,6a-trimethyl-3a,4,5,6-tetrahydrocyclopenta[b]furan-2-one (PubChem CID 101139038) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (3aR,6aR)-3,3,6a-trimethyl-3a,4,5,6-tetrahydrocyclopenta[b]furan-2-one.

Molecular Properties

Compound Name(3aR,6aR)-3,3,6a-trimethyl-3a,4,5,6-tetrahydrocyclopenta[b]furan-2-one
PubChem CID101139038
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(3aR,6aR)-3,3,6a-trimethyl-3a,4,5,6-tetrahydrocyclopenta[b]furan-2-one
SMILESCC1(C)C(=O)O[C@]2(C)CCC[C@H]12
InChIInChI=1S/C10H16O2/c1-9(2)7-5-4-6-10(7,3)12-8(9)11/h7H,4-6H2,1-3H3/t7-,10-/m1/s1
InChIKeyHMXQLOGGDUUJFF-GMSGAONNSA-N
XLogP2.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5,5,8a-trimethyl-3,4,4a,6,7,8-hexahydrochromen-2-one
CID 12742959
(1R,3S,6R,9S)-6-methyl-8-oxo-7-oxatricyclo[4.3.0.03,9]nonane-9-carbaldehyde
CID 10954118
(4'aS,8'aS)-1',1',4'a-trimethylspiro[1,3-dioxolane-2,5'-3,4,6,7,8,8a-hexahydronaphthalene]-2'-one
CID 12506826
(3aS,4R,7aR)-7a-hydroxy-3a,4-dimethyl-4,5,6,7-tetrahydro-3H-1-benzofuran-2-one
CID 25214033
(3aR,9aS,9bR)-3a,9a-dimethyl-4,5,5a,6,7,8,9,9b-octahydro-1H-benzo[e][1]benzofuran-2-one
CID 143398960
3,3,7,7-tetramethyl-4a,7a,8,9,10,11-hexahydro-[1,2,4]trioxino[6,5-j]isochromen-6-one
CID 57258019
(3R,3aR,7aR)-3-hydroxy-7a-methyl-3,3a,4,5,6,7-hexahydro-1-benzofuran-2-one
CID 23270776
1,4-dimethyl-5,10-dioxatricyclo[5.3.0.04,8]decane-6,9-dione
CID 3076047
(1S,5S,8R)-8-iodo-1,5-dimethyl-6-oxabicyclo[3.2.1]octane-2,7-dione
CID 102214036
(1R,5R,8R)-8-iodo-1,5-dimethyl-6-oxabicyclo[3.2.1]octane-2,7-dione
CID 15499588
(4aR,6aS,10aS,10bR)-4a,7,7,10a-tetramethyl-1,5,6,6a,8,9,10,10b-octahydronaphtho[2,1-d][1,3]dioxin-3-one
CID 71580669
(5S)-5-[(3S,3aR,5aR,9aR)-3a,6,6,9a-tetramethyl-7-oxo-2,3,4,5,5a,8,9,9b-octahydro-1H-cyclopenta[a]naphthalen-3-yl]-5-methyloxolan-2-one
CID 122473556

Frequently Asked Questions

What is the IUPAC name of (3aR,6aR)-3,3,6a-trimethyl-3a,4,5,6-tetrahydrocyclopenta[b]furan-2-one?
The IUPAC name of (3aR,6aR)-3,3,6a-trimethyl-3a,4,5,6-tetrahydrocyclopenta[b]furan-2-one (CID 101139038) is (3aR,6aR)-3,3,6a-trimethyl-3a,4,5,6-tetrahydrocyclopenta[b]furan-2-one.
What is the SMILES notation for (3aR,6aR)-3,3,6a-trimethyl-3a,4,5,6-tetrahydrocyclopenta[b]furan-2-one?
The canonical SMILES for (3aR,6aR)-3,3,6a-trimethyl-3a,4,5,6-tetrahydrocyclopenta[b]furan-2-one is CC1(C)C(=O)O[C@]2(C)CCC[C@H]12.
What is the InChIKey of (3aR,6aR)-3,3,6a-trimethyl-3a,4,5,6-tetrahydrocyclopenta[b]furan-2-one?
The InChIKey is HMXQLOGGDUUJFF-GMSGAONNSA-N. The full InChI is InChI=1S/C10H16O2/c1-9(2)7-5-4-6-10(7,3)12-8(9)11/h7H,4-6H2,1-3H3/t7-,10-/m1/s1.
What are the key properties of (3aR,6aR)-3,3,6a-trimethyl-3a,4,5,6-tetrahydrocyclopenta[b]furan-2-one?
(3aR,6aR)-3,3,6a-trimethyl-3a,4,5,6-tetrahydrocyclopenta[b]furan-2-one has a molecular weight of 168.24 g/mol, XLogP of 2.13, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aR)-3,3,6a-trimethyl-3a,4,5,6-tetrahydrocyclopenta[b]furan-2-one is sourced from PubChem (CID 101139038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).