(5R,6S,8R)-6-hydroxy-4,4,8-trimethyl-1-oxaspiro[4.5]decan-2-one

C12H20O3 — CID 11789099

IUPAC(5R,6S,8R)-6-hydroxy-4,4,8-trimethyl-1-oxaspiro[4.5]decan-2-one
SMILESC[C@@H]1CC[C@]2(OC(=O)CC2(C)C)[C@@H](O)C1
InChIInChI=1S/C12H20O3/c1-8-4-5-12(9(13)6-8)11(2,3)7-10(14)15-12/h8-9,13H,4-7H2,1-3H3/t8-,9+,12+/m1/s1
InChIKeyYFBBZMOQNHQCHU-PTRXPTGYSA-N
MW212.29 g/mol
LogP1.88
Rot. Bonds

About (5R,6S,8R)-6-hydroxy-4,4,8-trimethyl-1-oxaspiro[4.5]decan-2-one

(5R,6S,8R)-6-hydroxy-4,4,8-trimethyl-1-oxaspiro[4.5]decan-2-one (PubChem CID 11789099) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is (5R,6S,8R)-6-hydroxy-4,4,8-trimethyl-1-oxaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(5R,6S,8R)-6-hydroxy-4,4,8-trimethyl-1-oxaspiro[4.5]decan-2-one
PubChem CID11789099
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name(5R,6S,8R)-6-hydroxy-4,4,8-trimethyl-1-oxaspiro[4.5]decan-2-one
SMILESC[C@@H]1CC[C@]2(OC(=O)CC2(C)C)[C@@H](O)C1
InChIInChI=1S/C12H20O3/c1-8-4-5-12(9(13)6-8)11(2,3)7-10(14)15-12/h8-9,13H,4-7H2,1-3H3/t8-,9+,12+/m1/s1
InChIKeyYFBBZMOQNHQCHU-PTRXPTGYSA-N
XLogP1.88
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5R,6S,8R)-6-hydroxy-4,4,8-trimethyl-1-oxaspiro[4.5]decan-2-one with MolForge

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Related Compounds

9-hydroxy-7-methyl-1-oxaspiro[4.4]nonan-2-one
CID 122470158
4,4,5,5-tetramethyloxolan-2-one
CID 547832
7-hydroxy-1,4,4-trimethyl-3-oxabicyclo[3.2.2]nonan-2-one
CID 130123713
9-methyl-1,5-dioxaspiro[5.5]undecane-2,4-dione
CID 143148723
(3aS,4R,7aR)-7a-hydroxy-3a,4-dimethyl-4,5,6,7-tetrahydro-3H-1-benzofuran-2-one
CID 25214033
(4S,5S)-4-cyclopropyl-5-hydroxy-4-methyloxolan-2-one
CID 131041836
5,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-inden-1-one
CID 130029475
(3S,4S)-3,4-dihydroxy-3-methyloxolan-2-one
CID 10997077
(4S,5R)-5-hydroxy-4,6,6-trimethyloxan-2-one
CID 13412067
2-[(3aR,4S,6aR)-3a,6a-dimethyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]furan-4-yl]acetonitrile
CID 99985578
2-[(3aR,4R,6aS)-3a,6a-dimethyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]furan-4-yl]acetonitrile
CID 99985590
2-[(3aR,4R,6aR)-3a,6a-dimethyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]furan-4-yl]acetic acid
CID 99985601

Frequently Asked Questions

What is the IUPAC name of (5R,6S,8R)-6-hydroxy-4,4,8-trimethyl-1-oxaspiro[4.5]decan-2-one?
The IUPAC name of (5R,6S,8R)-6-hydroxy-4,4,8-trimethyl-1-oxaspiro[4.5]decan-2-one (CID 11789099) is (5R,6S,8R)-6-hydroxy-4,4,8-trimethyl-1-oxaspiro[4.5]decan-2-one.
What is the SMILES notation for (5R,6S,8R)-6-hydroxy-4,4,8-trimethyl-1-oxaspiro[4.5]decan-2-one?
The canonical SMILES for (5R,6S,8R)-6-hydroxy-4,4,8-trimethyl-1-oxaspiro[4.5]decan-2-one is C[C@@H]1CC[C@]2(OC(=O)CC2(C)C)[C@@H](O)C1.
What is the InChIKey of (5R,6S,8R)-6-hydroxy-4,4,8-trimethyl-1-oxaspiro[4.5]decan-2-one?
The InChIKey is YFBBZMOQNHQCHU-PTRXPTGYSA-N. The full InChI is InChI=1S/C12H20O3/c1-8-4-5-12(9(13)6-8)11(2,3)7-10(14)15-12/h8-9,13H,4-7H2,1-3H3/t8-,9+,12+/m1/s1.
What are the key properties of (5R,6S,8R)-6-hydroxy-4,4,8-trimethyl-1-oxaspiro[4.5]decan-2-one?
(5R,6S,8R)-6-hydroxy-4,4,8-trimethyl-1-oxaspiro[4.5]decan-2-one has a molecular weight of 212.29 g/mol, XLogP of 1.88, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S,8R)-6-hydroxy-4,4,8-trimethyl-1-oxaspiro[4.5]decan-2-one is sourced from PubChem (CID 11789099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).