(2R)-2-hydroxy-1-oxaspiro[5.5]undec-3-en-5-one

C10H14O3 — CID 129364170

IUPAC(2R)-2-hydroxy-1-oxaspiro[5.5]undec-3-en-5-one
SMILESO=C1C=C[C@H](O)OC12CCCCC2
InChIInChI=1S/C10H14O3/c11-8-4-5-9(12)13-10(8)6-2-1-3-7-10/h4-5,9,12H,1-3,6-7H2/t9-/m1/s1
InChIKeyNNYFKMNAIXNTHD-SECBINFHSA-N
MW182.22 g/mol
LogP1.16
Rot. Bonds

About (2R)-2-hydroxy-1-oxaspiro[5.5]undec-3-en-5-one

(2R)-2-hydroxy-1-oxaspiro[5.5]undec-3-en-5-one (PubChem CID 129364170) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is (2R)-2-hydroxy-1-oxaspiro[5.5]undec-3-en-5-one.

Molecular Properties

Compound Name(2R)-2-hydroxy-1-oxaspiro[5.5]undec-3-en-5-one
PubChem CID129364170
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name(2R)-2-hydroxy-1-oxaspiro[5.5]undec-3-en-5-one
SMILESO=C1C=C[C@H](O)OC12CCCCC2
InChIInChI=1S/C10H14O3/c11-8-4-5-9(12)13-10(8)6-2-1-3-7-10/h4-5,9,12H,1-3,6-7H2/t9-/m1/s1
InChIKeyNNYFKMNAIXNTHD-SECBINFHSA-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

6-cyclohexyl-2-hydroxy-2H-pyran-5-one
CID 14641213
6-hexyl-2-hydroxy-2H-pyran-5-one
CID 10798022
2-Hydroxy-1-oxaspiro[5.5]undec-3-en-5-one
CID 11052277
2-hydroxy-6-(4-methyl-3-propan-2-ylpent-4-enyl)-2H-pyran-5-one
CID 13005830
(6S)-2-hydroxy-6-pentyl-2H-pyran-5-one
CID 14041215
(6S)-6-decyl-2-hydroxy-2H-pyran-5-one
CID 14641217
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-Hydroxy-2-(4-methylpent-4-en-1-yl)-2H-pyran-3(6H)-one
CID 71410670
(5-Oxo-1-oxaspiro[5.5]undec-3-en-2-yl) acetate
CID 122382413
2-[(2-Methylpropan-2-yl)oxy]-1-oxaspiro[5.5]undec-3-en-5-one
CID 162412813
2-hydroxy-6,6-dipropyl-2H-pyran-5-one
CID 164676540

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-1-oxaspiro[5.5]undec-3-en-5-one?
The IUPAC name of (2R)-2-hydroxy-1-oxaspiro[5.5]undec-3-en-5-one (CID 129364170) is (2R)-2-hydroxy-1-oxaspiro[5.5]undec-3-en-5-one.
What is the SMILES notation for (2R)-2-hydroxy-1-oxaspiro[5.5]undec-3-en-5-one?
The canonical SMILES for (2R)-2-hydroxy-1-oxaspiro[5.5]undec-3-en-5-one is O=C1C=C[C@H](O)OC12CCCCC2.
What is the InChIKey of (2R)-2-hydroxy-1-oxaspiro[5.5]undec-3-en-5-one?
The InChIKey is NNYFKMNAIXNTHD-SECBINFHSA-N. The full InChI is InChI=1S/C10H14O3/c11-8-4-5-9(12)13-10(8)6-2-1-3-7-10/h4-5,9,12H,1-3,6-7H2/t9-/m1/s1.
What are the key properties of (2R)-2-hydroxy-1-oxaspiro[5.5]undec-3-en-5-one?
(2R)-2-hydroxy-1-oxaspiro[5.5]undec-3-en-5-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 (2R)-2-hydroxy-1-oxaspiro[5.5]undec-3-en-5-one is sourced from PubChem (CID 129364170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).