(5R,6S,10R)-6-hydroxy-10-methyl-1-oxaspiro[4.5]decan-2-one

C10H16O3 — CID 170988382

IUPAC(5R,6S,10R)-6-hydroxy-10-methyl-1-oxaspiro[4.5]decan-2-one
SMILESC[C@@H]1CCC[C@H](O)[C@@]12CCC(=O)O2
InChIInChI=1S/C10H16O3/c1-7-3-2-4-8(11)10(7)6-5-9(12)13-10/h7-8,11H,2-6H2,1H3/t7-,8+,10-/m1/s1
InChIKeyLPCPEYXFTFZJCI-KHQFGBGNSA-N
MW184.23 g/mol
LogP1.24
Rot. Bonds

About (5R,6S,10R)-6-hydroxy-10-methyl-1-oxaspiro[4.5]decan-2-one

(5R,6S,10R)-6-hydroxy-10-methyl-1-oxaspiro[4.5]decan-2-one (PubChem CID 170988382) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is (5R,6S,10R)-6-hydroxy-10-methyl-1-oxaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(5R,6S,10R)-6-hydroxy-10-methyl-1-oxaspiro[4.5]decan-2-one
PubChem CID170988382
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name(5R,6S,10R)-6-hydroxy-10-methyl-1-oxaspiro[4.5]decan-2-one
SMILESC[C@@H]1CCC[C@H](O)[C@@]12CCC(=O)O2
InChIInChI=1S/C10H16O3/c1-7-3-2-4-8(11)10(7)6-5-9(12)13-10/h7-8,11H,2-6H2,1H3/t7-,8+,10-/m1/s1
InChIKeyLPCPEYXFTFZJCI-KHQFGBGNSA-N
XLogP1.24
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Pathylactone A
CID 11357249
Lucentide B
CID 139583234
(6S,7R,7aS)-6,7-dihydroxy-3,6-dimethyl-3,3a,4,5,7,7a-hexahydro-1-benzouran-2-one
CID 139588648
5-(1-Hydroxyethyl)-5-methyl-3-(3-methylbutyl)oxolan-2-one
CID 3125298
Hexahydro-7-hydroxy-2(3H)-benzofuranone
CID 12316130
(3aS,7aR)-7-hydroxy-3a,5-dimethyl-3,4,5,6,7,7a-hexahydro-1-benzofuran-2-one
CID 130142665
7-Hydroxy-4,4-dimethyl-3,3a,5,6,7,7a-hexahydro-1-benzofuran-2-one
CID 152758775
7-hydroxy-6-methyl-3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran-2-one
CID 153932299
6-Hydroxy-3-methyl-1-oxaspiro[4.5]decan-2-one
CID 163982709
7-hydroxy-3,6-dimethyl-3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran-2-one
CID 169324307
(5s,6r,8s)-(-)-6-Hydroxy-4,4,8-trimethyl-1-oxaspiro[4.5]decan-2-one
CID 11206626
(5r,6s,8s)-6-Hydroxy-4,4,8-trimethyl-1-oxaspiro[4.5]decan-2-one
CID 11218115

Frequently Asked Questions

What is the IUPAC name of (5R,6S,10R)-6-hydroxy-10-methyl-1-oxaspiro[4.5]decan-2-one?
The IUPAC name of (5R,6S,10R)-6-hydroxy-10-methyl-1-oxaspiro[4.5]decan-2-one (CID 170988382) is (5R,6S,10R)-6-hydroxy-10-methyl-1-oxaspiro[4.5]decan-2-one.
What is the SMILES notation for (5R,6S,10R)-6-hydroxy-10-methyl-1-oxaspiro[4.5]decan-2-one?
The canonical SMILES for (5R,6S,10R)-6-hydroxy-10-methyl-1-oxaspiro[4.5]decan-2-one is C[C@@H]1CCC[C@H](O)[C@@]12CCC(=O)O2.
What is the InChIKey of (5R,6S,10R)-6-hydroxy-10-methyl-1-oxaspiro[4.5]decan-2-one?
The InChIKey is LPCPEYXFTFZJCI-KHQFGBGNSA-N. The full InChI is InChI=1S/C10H16O3/c1-7-3-2-4-8(11)10(7)6-5-9(12)13-10/h7-8,11H,2-6H2,1H3/t7-,8+,10-/m1/s1.
What are the key properties of (5R,6S,10R)-6-hydroxy-10-methyl-1-oxaspiro[4.5]decan-2-one?
(5R,6S,10R)-6-hydroxy-10-methyl-1-oxaspiro[4.5]decan-2-one has a molecular weight of 184.23 g/mol, XLogP of 1.24, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S,10R)-6-hydroxy-10-methyl-1-oxaspiro[4.5]decan-2-one is sourced from PubChem (CID 170988382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).