8-hydroxy-3,3-dimethyl-1-oxaspiro[4.5]decan-2-one

C11H18O3 — CID 148805131

IUPAC8-hydroxy-3,3-dimethyl-1-oxaspiro[4.5]decan-2-one
SMILESCC1(C)CC2(CCC(O)CC2)OC1=O
InChIInChI=1S/C11H18O3/c1-10(2)7-11(14-9(10)13)5-3-8(12)4-6-11/h8,12H,3-7H2,1-2H3
InChIKeyOOUNYGAOMHZIIU-UHFFFAOYSA-N
MW198.26 g/mol
LogP1.63
Rot. Bonds

About 8-hydroxy-3,3-dimethyl-1-oxaspiro[4.5]decan-2-one

8-hydroxy-3,3-dimethyl-1-oxaspiro[4.5]decan-2-one (PubChem CID 148805131) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 8-hydroxy-3,3-dimethyl-1-oxaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-hydroxy-3,3-dimethyl-1-oxaspiro[4.5]decan-2-one
PubChem CID148805131
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name8-hydroxy-3,3-dimethyl-1-oxaspiro[4.5]decan-2-one
SMILESCC1(C)CC2(CCC(O)CC2)OC1=O
InChIInChI=1S/C11H18O3/c1-10(2)7-11(14-9(10)13)5-3-8(12)4-6-11/h8,12H,3-7H2,1-2H3
InChIKeyOOUNYGAOMHZIIU-UHFFFAOYSA-N
XLogP1.63
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-hydroxy-1,4,4-trimethyl-3-oxabicyclo[3.2.2]nonan-2-one
CID 130123713
6-hydroxy-2,2,3a-trimethyl-4,5,6,6a-tetrahydro-3H-pentalen-1-one
CID 85299327
3-methyl-1-oxaspiro[4.5]decan-8-ol
CID 70367589
8-hydroxyspiro[4.5]decane-1,4-dione
CID 150683768
7-hydroxy-10,17-dimethyl-16,21-dioxahexacyclo[15.3.1.01,14.02,11.05,10.014,18]henicos-4-en-15-one
CID 15558373
7-hydroxy-1-methylspiro[3.5]nonan-3-one
CID 163701413
9-hydroxy-3-(1-phenylethyl)-1-oxa-3-azaspiro[5.5]undecan-2-one
CID 67996360
3-[(1S)-1-(4-aminophenyl)ethyl]-9-hydroxy-1-oxa-3-azaspiro[5.5]undecan-2-one
CID 70652584
1,4-ditert-butyl-2,5-dioxabicyclo[2.2.1]heptane-3,6-dione
CID 14172681
9-hydroxy-3-[(1S)-1-(4-methoxyphenyl)ethyl]-1-oxa-3-azaspiro[5.5]undecan-2-one
CID 67996624
CID 158702371
CID 158702371
3-[1-(4-bromophenyl)cyclopropyl]-9-hydroxy-1-oxa-3-azaspiro[5.5]undecan-2-one
CID 162233198

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-3,3-dimethyl-1-oxaspiro[4.5]decan-2-one?
The IUPAC name of 8-hydroxy-3,3-dimethyl-1-oxaspiro[4.5]decan-2-one (CID 148805131) is 8-hydroxy-3,3-dimethyl-1-oxaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-hydroxy-3,3-dimethyl-1-oxaspiro[4.5]decan-2-one?
The canonical SMILES for 8-hydroxy-3,3-dimethyl-1-oxaspiro[4.5]decan-2-one is CC1(C)CC2(CCC(O)CC2)OC1=O.
What is the InChIKey of 8-hydroxy-3,3-dimethyl-1-oxaspiro[4.5]decan-2-one?
The InChIKey is OOUNYGAOMHZIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-10(2)7-11(14-9(10)13)5-3-8(12)4-6-11/h8,12H,3-7H2,1-2H3.
What are the key properties of 8-hydroxy-3,3-dimethyl-1-oxaspiro[4.5]decan-2-one?
8-hydroxy-3,3-dimethyl-1-oxaspiro[4.5]decan-2-one has a molecular weight of 198.26 g/mol, XLogP of 1.63, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-3,3-dimethyl-1-oxaspiro[4.5]decan-2-one is sourced from PubChem (CID 148805131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).