(3S)-3-hydroxy-4-methyl-2-oxaspiro[4.5]decan-1-one

C10H16O3 — CID 143291862

IUPAC(3S)-3-hydroxy-4-methyl-2-oxaspiro[4.5]decan-1-one
SMILESCC1[C@@H](O)OC(=O)C12CCCCC2
InChIInChI=1S/C10H16O3/c1-7-8(11)13-9(12)10(7)5-3-2-4-6-10/h7-8,11H,2-6H2,1H3/t7?,8-/m0/s1
InChIKeyXATNWDICIDTTAX-MQWKRIRWSA-N
MW184.23 g/mol
LogP1.45
Rot. Bonds

About (3S)-3-hydroxy-4-methyl-2-oxaspiro[4.5]decan-1-one

(3S)-3-hydroxy-4-methyl-2-oxaspiro[4.5]decan-1-one (PubChem CID 143291862) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is (3S)-3-hydroxy-4-methyl-2-oxaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name(3S)-3-hydroxy-4-methyl-2-oxaspiro[4.5]decan-1-one
PubChem CID143291862
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name(3S)-3-hydroxy-4-methyl-2-oxaspiro[4.5]decan-1-one
SMILESCC1[C@@H](O)OC(=O)C12CCCCC2
InChIInChI=1S/C10H16O3/c1-7-8(11)13-9(12)10(7)5-3-2-4-6-10/h7-8,11H,2-6H2,1H3/t7?,8-/m0/s1
InChIKeyXATNWDICIDTTAX-MQWKRIRWSA-N
XLogP1.45
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 ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1,3-dioxaspiro[4.4]nonan-4-one
CID 131851932
(1-methylcyclopentyl) N-(2-methyl-4-oxooxetan-3-yl)carbamate
CID 123318865
3-methyl-4-oxa-1-azaspiro[5.5]undecan-5-one
CID 22689088
methyl (1R,5S)-3-oxospiro[2-oxa-8-azabicyclo[3.3.1]non-6-ene-4,1'-cyclohexane]-8-carboxylate
CID 11666139
(5S,6R)-5-hydroxyspiro[5.6]dodecan-12-one
CID 25240702
(4S,5S)-4-hydroxyspiro[4.7]dodecan-12-one
CID 15438101
(4R,5S)-4-hydroxyspiro[4.6]undecan-11-one
CID 130756206
(3S,4R)-4-methyl-2-oxo-1-oxaspiro[4.5]decane-3-carboxamide
CID 124706491
(1S,6R,7S)-13-oxatricyclo[5.4.2.01,6]tridecane-5,12-dione
CID 146166125
(3aS,6R,6aR)-6-hydroxyspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-2,1'-cyclohexane]-4-one
CID 171395325
(3S,4S,5R)-3,4-dihydroxy-5-[(1R,2S)-1-hydroxy-2-methylcyclohexyl]-3-methyloxolan-2-one
CID 102254228
(1S)-4,4-dimethyl-1-phenyl-2-oxaspiro[5.5]undecane-3,5-dione
CID 706721

Frequently Asked Questions

What is the IUPAC name of (3S)-3-hydroxy-4-methyl-2-oxaspiro[4.5]decan-1-one?
The IUPAC name of (3S)-3-hydroxy-4-methyl-2-oxaspiro[4.5]decan-1-one (CID 143291862) is (3S)-3-hydroxy-4-methyl-2-oxaspiro[4.5]decan-1-one.
What is the SMILES notation for (3S)-3-hydroxy-4-methyl-2-oxaspiro[4.5]decan-1-one?
The canonical SMILES for (3S)-3-hydroxy-4-methyl-2-oxaspiro[4.5]decan-1-one is CC1[C@@H](O)OC(=O)C12CCCCC2.
What is the InChIKey of (3S)-3-hydroxy-4-methyl-2-oxaspiro[4.5]decan-1-one?
The InChIKey is XATNWDICIDTTAX-MQWKRIRWSA-N. The full InChI is InChI=1S/C10H16O3/c1-7-8(11)13-9(12)10(7)5-3-2-4-6-10/h7-8,11H,2-6H2,1H3/t7?,8-/m0/s1.
What are the key properties of (3S)-3-hydroxy-4-methyl-2-oxaspiro[4.5]decan-1-one?
(3S)-3-hydroxy-4-methyl-2-oxaspiro[4.5]decan-1-one has a molecular weight of 184.23 g/mol, XLogP of 1.45, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-hydroxy-4-methyl-2-oxaspiro[4.5]decan-1-one is sourced from PubChem (CID 143291862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).