8-hydroxydodecanoate

C12H23O3- — CID 155802527

IUPAC8-hydroxydodecanoate
SMILESCCCCC(O)CCCCCCC(=O)[O-]
InChIInChI=1S/C12H24O3/c1-2-3-8-11(13)9-6-4-5-7-10-12(14)15/h11,13H,2-10H2,1H3,(H,14,15)/p-1
InChIKeyPPHSOXADSWJILD-UHFFFAOYSA-M
MW215.31 g/mol
LogP1.63
Rot. Bonds10

About 8-hydroxydodecanoate

8-hydroxydodecanoate (PubChem CID 155802527) has the molecular formula C12H23O3- and a molecular weight of 215.31 g/mol. Its IUPAC name is 8-hydroxydodecanoate.

Molecular Properties

Compound Name8-hydroxydodecanoate
PubChem CID155802527
Molecular FormulaC12H23O3-
Molecular Weight215.31 g/mol
Exact Mass215.17
IUPAC Name8-hydroxydodecanoate
SMILESCCCCC(O)CCCCCCC(=O)[O-]
InChIInChI=1S/C12H24O3/c1-2-3-8-11(13)9-6-4-5-7-10-12(14)15/h11,13H,2-10H2,1H3,(H,14,15)/p-1
InChIKeyPPHSOXADSWJILD-UHFFFAOYSA-M
XLogP1.63
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.31
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

aluminum 12-hydroxyoctadecanoate
CID 21119248
sodium (12S)-12-hydroxyoctadecanoate
CID 76956600
CID 71432168
CID 71432168
5-hydroxyoctadecanoate
CID 126456525
potassium 15-hydroxyoctadecanoate
CID 101326197
potassium 5-hydroxyhexadecanoate
CID 171774657
sodium 15-hydroxyoctadecanoate
CID 101326210
(9S,10S)-9,10-dihydroxyoctadecanoate
CID 25201168
tris(9,10-dihydroxyoctadecanoate);(9S,10R)-9,10-dihydroxyoctadecanoate;osmium(4+);tetrakis(oxygen(2-))
CID 173309325
21-hydroxypentacosanoic acid
CID 169277058
13-hydroxyheptadecan-2-one
CID 164804784
11-[2-hydroxytetradecyl(dimethyl)azaniumyl]undecanoate
CID 88683102

Frequently Asked Questions

What is the IUPAC name of 8-hydroxydodecanoate?
The IUPAC name of 8-hydroxydodecanoate (CID 155802527) is 8-hydroxydodecanoate.
What is the SMILES notation for 8-hydroxydodecanoate?
The canonical SMILES for 8-hydroxydodecanoate is CCCCC(O)CCCCCCC(=O)[O-].
What is the InChIKey of 8-hydroxydodecanoate?
The InChIKey is PPHSOXADSWJILD-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H24O3/c1-2-3-8-11(13)9-6-4-5-7-10-12(14)15/h11,13H,2-10H2,1H3,(H,14,15)/p-1.
What are the key properties of 8-hydroxydodecanoate?
8-hydroxydodecanoate has a molecular weight of 215.31 g/mol, XLogP of 1.63, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxydodecanoate is sourced from PubChem (CID 155802527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).