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

C8H10O2 — CID 11205784

IUPAC(6aS)-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-/m1/s1
InChIKeyPJSLFIZDWYVMRL-ZCFIWIBFSA-N
MW138.17 g/mol
LogP0.92
Rot. Bonds

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

(6aS)-4-methyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one (PubChem CID 11205784) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is (6aS)-4-methyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one.

Molecular Properties

Compound Name(6aS)-4-methyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one
PubChem CID11205784
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name(6aS)-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-/m1/s1
InChIKeyPJSLFIZDWYVMRL-ZCFIWIBFSA-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

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Frequently Asked Questions

What is the IUPAC name of (6aS)-4-methyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one?
The IUPAC name of (6aS)-4-methyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one (CID 11205784) is (6aS)-4-methyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one.
What is the SMILES notation for (6aS)-4-methyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one?
The canonical SMILES for (6aS)-4-methyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one is CC1=C2COC[C@H]2CC1=O.
What is the InChIKey of (6aS)-4-methyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one?
The InChIKey is PJSLFIZDWYVMRL-ZCFIWIBFSA-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-/m1/s1.
What are the key properties of (6aS)-4-methyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one?
(6aS)-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 (6aS)-4-methyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one is sourced from PubChem (CID 11205784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).