(7S)-7-hydroxy-7-methyl-6-oxaspiro[4.5]dec-8-en-10-one

C10H14O3 — CID 162412613

IUPAC(7S)-7-hydroxy-7-methyl-6-oxaspiro[4.5]dec-8-en-10-one
SMILESC[C@@]1(O)C=CC(=O)C2(CCCC2)O1
InChIInChI=1S/C10H14O3/c1-9(12)7-4-8(11)10(13-9)5-2-3-6-10/h4,7,12H,2-3,5-6H2,1H3/t9-/m0/s1
InChIKeyNNTXBGSLKZERCF-VIFPVBQESA-N
MW182.22 g/mol
LogP1.16
Rot. Bonds

About (7S)-7-hydroxy-7-methyl-6-oxaspiro[4.5]dec-8-en-10-one

(7S)-7-hydroxy-7-methyl-6-oxaspiro[4.5]dec-8-en-10-one (PubChem CID 162412613) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is (7S)-7-hydroxy-7-methyl-6-oxaspiro[4.5]dec-8-en-10-one.

Molecular Properties

Compound Name(7S)-7-hydroxy-7-methyl-6-oxaspiro[4.5]dec-8-en-10-one
PubChem CID162412613
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name(7S)-7-hydroxy-7-methyl-6-oxaspiro[4.5]dec-8-en-10-one
SMILESC[C@@]1(O)C=CC(=O)C2(CCCC2)O1
InChIInChI=1S/C10H14O3/c1-9(12)7-4-8(11)10(13-9)5-2-3-6-10/h4,7,12H,2-3,5-6H2,1H3/t9-/m0/s1
InChIKeyNNTXBGSLKZERCF-VIFPVBQESA-N
XLogP1.16
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Hydroxy-2-methyl-1-oxaspiro[5.5]undec-3-en-5-one
CID 15190721
7-Hydroxy-6-oxaspiro[4.5]dec-8-en-10-one
CID 53391906
6-Butyl-6-hydroxy-2,2-dimethylpyran-3-one
CID 135058375
7-Hydroxy-7-methyl-6-oxaspiro[4.5]dec-8-en-10-one
CID 135075468
2-Hydroxy-2-methyl-1-oxaspiro[5.6]dodec-3-en-5-one
CID 135075806
5-Butyl-1-hydroxy-8-oxabicyclo(3.2.1)octa-3,6-dien-2-one
CID 14087805
5-Acetyl-5-butylfuran-2-one
CID 86150789
2-hydroxy-6-pent-4-enyl-6-prop-2-enyl-2H-pyran-5-one
CID 101465603
6,6-dibutyl-2-hydroxy-2H-pyran-5-one
CID 132942802

Frequently Asked Questions

What is the IUPAC name of (7S)-7-hydroxy-7-methyl-6-oxaspiro[4.5]dec-8-en-10-one?
The IUPAC name of (7S)-7-hydroxy-7-methyl-6-oxaspiro[4.5]dec-8-en-10-one (CID 162412613) is (7S)-7-hydroxy-7-methyl-6-oxaspiro[4.5]dec-8-en-10-one.
What is the SMILES notation for (7S)-7-hydroxy-7-methyl-6-oxaspiro[4.5]dec-8-en-10-one?
The canonical SMILES for (7S)-7-hydroxy-7-methyl-6-oxaspiro[4.5]dec-8-en-10-one is C[C@@]1(O)C=CC(=O)C2(CCCC2)O1.
What is the InChIKey of (7S)-7-hydroxy-7-methyl-6-oxaspiro[4.5]dec-8-en-10-one?
The InChIKey is NNTXBGSLKZERCF-VIFPVBQESA-N. The full InChI is InChI=1S/C10H14O3/c1-9(12)7-4-8(11)10(13-9)5-2-3-6-10/h4,7,12H,2-3,5-6H2,1H3/t9-/m0/s1.
What are the key properties of (7S)-7-hydroxy-7-methyl-6-oxaspiro[4.5]dec-8-en-10-one?
(7S)-7-hydroxy-7-methyl-6-oxaspiro[4.5]dec-8-en-10-one has a molecular weight of 182.22 g/mol, XLogP of 1.16, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-hydroxy-7-methyl-6-oxaspiro[4.5]dec-8-en-10-one is sourced from PubChem (CID 162412613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).