(3aS,5R,6aS)-5-methyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one

C8H12O2 — CID 71545549

IUPAC(3aS,5R,6aS)-5-methyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
SMILESC[C@@H]1C[C@H]2CC(=O)O[C@H]2C1
InChIInChI=1S/C8H12O2/c1-5-2-6-4-8(9)10-7(6)3-5/h5-7H,2-4H2,1H3/t5-,6+,7+/m1/s1
InChIKeyUGZFKSZPWWYPLB-VQVTYTSYSA-N
MW140.18 g/mol
LogP1.35
Rot. Bonds

About (3aS,5R,6aS)-5-methyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one

(3aS,5R,6aS)-5-methyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one (PubChem CID 71545549) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is (3aS,5R,6aS)-5-methyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one.

Molecular Properties

Compound Name(3aS,5R,6aS)-5-methyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
PubChem CID71545549
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name(3aS,5R,6aS)-5-methyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
SMILESC[C@@H]1C[C@H]2CC(=O)O[C@H]2C1
InChIInChI=1S/C8H12O2/c1-5-2-6-4-8(9)10-7(6)3-5/h5-7H,2-4H2,1H3/t5-,6+,7+/m1/s1
InChIKeyUGZFKSZPWWYPLB-VQVTYTSYSA-N
XLogP1.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3aS,5R,6aS)-5-methyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
The IUPAC name of (3aS,5R,6aS)-5-methyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one (CID 71545549) is (3aS,5R,6aS)-5-methyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one.
What is the SMILES notation for (3aS,5R,6aS)-5-methyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
The canonical SMILES for (3aS,5R,6aS)-5-methyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one is C[C@@H]1C[C@H]2CC(=O)O[C@H]2C1.
What is the InChIKey of (3aS,5R,6aS)-5-methyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
The InChIKey is UGZFKSZPWWYPLB-VQVTYTSYSA-N. The full InChI is InChI=1S/C8H12O2/c1-5-2-6-4-8(9)10-7(6)3-5/h5-7H,2-4H2,1H3/t5-,6+,7+/m1/s1.
What are the key properties of (3aS,5R,6aS)-5-methyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
(3aS,5R,6aS)-5-methyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one has a molecular weight of 140.18 g/mol, XLogP of 1.35, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,5R,6aS)-5-methyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one is sourced from PubChem (CID 71545549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).