(6aR)-4-methyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one

C8H10O2 — CID 92543638

IUPAC(6aR)-4-methyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one
SMILESCC1=C2COC[C@@H]2CC1=O
InChIInChI=1S/C8H10O2/c1-5-7-4-10-3-6(7)2-8(5)9/h6H,2-4H2,1H3/t6-/m0/s1
InChIKeyPJSLFIZDWYVMRL-LURJTMIESA-N
MW138.17 g/mol
LogP0.92
Rot. Bonds

About (6aR)-4-methyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one

(6aR)-4-methyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one (PubChem CID 92543638) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is (6aR)-4-methyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one.

Molecular Properties

Compound Name(6aR)-4-methyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one
PubChem CID92543638
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name(6aR)-4-methyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one
SMILESCC1=C2COC[C@@H]2CC1=O
InChIInChI=1S/C8H10O2/c1-5-7-4-10-3-6(7)2-8(5)9/h6H,2-4H2,1H3/t6-/m0/s1
InChIKeyPJSLFIZDWYVMRL-LURJTMIESA-N
XLogP0.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (6aR)-4-methyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one with MolForge

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Related Compounds

(3R)-3-methyl-3-(4-methylpent-3-enyl)-3a,4-dihydro-1H-cyclopenta[c]furan-5-one
CID 24779709
6-Methyl-1,3,3a,4-tetrahydro-cyclopenta[c]furan-5-one
CID 10329360
1,3,3a,4-Tetrahydro-cyclopenta[c]furan-5-one
CID 10887896
1,1-dimethyl-3a,4-dihydro-1H-cyclopenta[c]furan-5(3H)-one
CID 13332066
4-methyl-6,6a-dihydro-1H-cyclopenta[c]furan-3,5-dione
CID 10419365
4-(Prop-2-enoxymethyl)-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one
CID 11019727
(6aS)-4-methyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one
CID 11205784
1-Methyl-3a,4-dihydro-1H-cyclopenta[c]furan-5(3H)-one
CID 13332065
4-[Tert-butyl(dimethyl)silyl]-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one
CID 15364598
7-Methyl-4,12-dioxatricyclo[8.3.0.02,6]trideca-1,6-dien-8-one
CID 134982117
(6aR)-3-ethenoxy-4-methyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one
CID 135056855
4-Trimethylsilyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one
CID 10997938

Frequently Asked Questions

What is the IUPAC name of (6aR)-4-methyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one?
The IUPAC name of (6aR)-4-methyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one (CID 92543638) is (6aR)-4-methyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one.
What is the SMILES notation for (6aR)-4-methyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one?
The canonical SMILES for (6aR)-4-methyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one is CC1=C2COC[C@@H]2CC1=O.
What is the InChIKey of (6aR)-4-methyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one?
The InChIKey is PJSLFIZDWYVMRL-LURJTMIESA-N. The full InChI is InChI=1S/C8H10O2/c1-5-7-4-10-3-6(7)2-8(5)9/h6H,2-4H2,1H3/t6-/m0/s1.
What are the key properties of (6aR)-4-methyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one?
(6aR)-4-methyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one has a molecular weight of 138.17 g/mol, XLogP of 0.92, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR)-4-methyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one is sourced from PubChem (CID 92543638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).