4-hydroxy-1,8-dimethylspiro[4.5]dec-8-en-10-one

C12H18O2 — CID 71439092

IUPAC4-hydroxy-1,8-dimethylspiro[4.5]dec-8-en-10-one
SMILESCC1=CC(=O)C2(CC1)C(C)CCC2O
InChIInChI=1S/C12H18O2/c1-8-5-6-12(11(14)7-8)9(2)3-4-10(12)13/h7,9-10,13H,3-6H2,1-2H3
InChIKeyCBXHVGLWICNEFM-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.07
Rot. Bonds

About 4-hydroxy-1,8-dimethylspiro[4.5]dec-8-en-10-one

4-hydroxy-1,8-dimethylspiro[4.5]dec-8-en-10-one (PubChem CID 71439092) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 4-hydroxy-1,8-dimethylspiro[4.5]dec-8-en-10-one.

Molecular Properties

Compound Name4-hydroxy-1,8-dimethylspiro[4.5]dec-8-en-10-one
PubChem CID71439092
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name4-hydroxy-1,8-dimethylspiro[4.5]dec-8-en-10-one
SMILESCC1=CC(=O)C2(CC1)C(C)CCC2O
InChIInChI=1S/C12H18O2/c1-8-5-6-12(11(14)7-8)9(2)3-4-10(12)13/h7,9-10,13H,3-6H2,1-2H3
InChIKeyCBXHVGLWICNEFM-UHFFFAOYSA-N
XLogP2.07
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1,8-dimethylspiro[4.5]dec-8-en-10-one?
The IUPAC name of 4-hydroxy-1,8-dimethylspiro[4.5]dec-8-en-10-one (CID 71439092) is 4-hydroxy-1,8-dimethylspiro[4.5]dec-8-en-10-one.
What is the SMILES notation for 4-hydroxy-1,8-dimethylspiro[4.5]dec-8-en-10-one?
The canonical SMILES for 4-hydroxy-1,8-dimethylspiro[4.5]dec-8-en-10-one is CC1=CC(=O)C2(CC1)C(C)CCC2O.
What is the InChIKey of 4-hydroxy-1,8-dimethylspiro[4.5]dec-8-en-10-one?
The InChIKey is CBXHVGLWICNEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-8-5-6-12(11(14)7-8)9(2)3-4-10(12)13/h7,9-10,13H,3-6H2,1-2H3.
What are the key properties of 4-hydroxy-1,8-dimethylspiro[4.5]dec-8-en-10-one?
4-hydroxy-1,8-dimethylspiro[4.5]dec-8-en-10-one has a molecular weight of 194.27 g/mol, XLogP of 2.07, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1,8-dimethylspiro[4.5]dec-8-en-10-one is sourced from PubChem (CID 71439092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).