(5S,6R,7R)-6,7-dihydroxy-6-methyl-1-oxaspiro[4.5]decan-2-one

C10H16O4 — CID 71665815

IUPAC(5S,6R,7R)-6,7-dihydroxy-6-methyl-1-oxaspiro[4.5]decan-2-one
SMILESC[C@@]1(O)[C@H](O)CCC[C@]12CCC(=O)O2
InChIInChI=1S/C10H16O4/c1-9(13)7(11)3-2-5-10(9)6-4-8(12)14-10/h7,11,13H,2-6H2,1H3/t7-,9-,10+/m1/s1
InChIKeyRWONUTPOHVHVNR-QNSHHTMESA-N
MW200.23 g/mol
LogP0.36
Rot. Bonds

About (5S,6R,7R)-6,7-dihydroxy-6-methyl-1-oxaspiro[4.5]decan-2-one

(5S,6R,7R)-6,7-dihydroxy-6-methyl-1-oxaspiro[4.5]decan-2-one (PubChem CID 71665815) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is (5S,6R,7R)-6,7-dihydroxy-6-methyl-1-oxaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(5S,6R,7R)-6,7-dihydroxy-6-methyl-1-oxaspiro[4.5]decan-2-one
PubChem CID71665815
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name(5S,6R,7R)-6,7-dihydroxy-6-methyl-1-oxaspiro[4.5]decan-2-one
SMILESC[C@@]1(O)[C@H](O)CCC[C@]12CCC(=O)O2
InChIInChI=1S/C10H16O4/c1-9(13)7(11)3-2-5-10(9)6-4-8(12)14-10/h7,11,13H,2-6H2,1H3/t7-,9-,10+/m1/s1
InChIKeyRWONUTPOHVHVNR-QNSHHTMESA-N
XLogP0.36
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (5S,6R,7R)-6,7-dihydroxy-6-methyl-1-oxaspiro[4.5]decan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Pathylactone A
CID 11357249
(3R,3aS,6R,6aS,9S,10R,10aS)-9,10-dihydroxy-3,6,9-trimethyl-3a,4,5,6,6a,7,8,10-octahydro-3H-benzo[h][1]benzofuran-2-one
CID 21593295
Lactinolide
CID 14336593
(1S,2R,3S,4S,5S)-5-butoxy-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid
CID 172446597
Arteannuin M
CID 21593315
(3R,6R,6aS,9S,10R,10aS)-9,10-dihydroxy-3,6,9-trimethyl-3a,4,5,6,6a,7,8,10-octahydro-3H-benzo[h][1]benzofuran-2-one
CID 101122310
(6S,7R,7aS)-6,7-dihydroxy-3,6-dimethyl-3,3a,4,5,7,7a-hexahydro-1-benzouran-2-one
CID 139588648
(3R,3aS,6R,6aS,9R,10S,10aS)-9,10-dihydroxy-3,6,9-trimethyl-3a,4,5,6,6a,7,8,10-octahydro-3H-benzo[h][1]benzofuran-2-one
CID 162969742
Terreinlactone C
CID 170988382
Talaromarnine A
CID 170989083
3,4,5-Trimethoxy-9-oxo-8-oxabicyclo[4.3.0]nonane-7-carboxylic acid
CID 3818645
(3S,3aR,6S,6aR,9S,10S,10aR)-9,10-dihydroxy-3,6,9-trimethyl-3a,4,5,6,6a,7,8,10-octahydro-3H-benzo[h][1]benzofuran-2-one
CID 11173211

Frequently Asked Questions

What is the IUPAC name of (5S,6R,7R)-6,7-dihydroxy-6-methyl-1-oxaspiro[4.5]decan-2-one?
The IUPAC name of (5S,6R,7R)-6,7-dihydroxy-6-methyl-1-oxaspiro[4.5]decan-2-one (CID 71665815) is (5S,6R,7R)-6,7-dihydroxy-6-methyl-1-oxaspiro[4.5]decan-2-one.
What is the SMILES notation for (5S,6R,7R)-6,7-dihydroxy-6-methyl-1-oxaspiro[4.5]decan-2-one?
The canonical SMILES for (5S,6R,7R)-6,7-dihydroxy-6-methyl-1-oxaspiro[4.5]decan-2-one is C[C@@]1(O)[C@H](O)CCC[C@]12CCC(=O)O2.
What is the InChIKey of (5S,6R,7R)-6,7-dihydroxy-6-methyl-1-oxaspiro[4.5]decan-2-one?
The InChIKey is RWONUTPOHVHVNR-QNSHHTMESA-N. The full InChI is InChI=1S/C10H16O4/c1-9(13)7(11)3-2-5-10(9)6-4-8(12)14-10/h7,11,13H,2-6H2,1H3/t7-,9-,10+/m1/s1.
What are the key properties of (5S,6R,7R)-6,7-dihydroxy-6-methyl-1-oxaspiro[4.5]decan-2-one?
(5S,6R,7R)-6,7-dihydroxy-6-methyl-1-oxaspiro[4.5]decan-2-one has a molecular weight of 200.23 g/mol, XLogP of 0.36, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6R,7R)-6,7-dihydroxy-6-methyl-1-oxaspiro[4.5]decan-2-one is sourced from PubChem (CID 71665815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).