19-hydroxy-2-(hydroxymethyl)nonadecanoic acid

C20H40O4 — CID 89413827

IUPAC19-hydroxy-2-(hydroxymethyl)nonadecanoic acid
SMILESO=C(O)C(CO)CCCCCCCCCCCCCCCCCO
InChIInChI=1S/C20H40O4/c21-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-19(18-22)20(23)24/h19,21-22H,1-18H2,(H,23,24)
InChIKeyUBAAJJOJBYXKQJ-UHFFFAOYSA-N
MW344.54 g/mol
LogP4.91
Rot. Bonds19

About 19-hydroxy-2-(hydroxymethyl)nonadecanoic acid

19-hydroxy-2-(hydroxymethyl)nonadecanoic acid (PubChem CID 89413827) has the molecular formula C20H40O4 and a molecular weight of 344.54 g/mol. Its IUPAC name is 19-hydroxy-2-(hydroxymethyl)nonadecanoic acid.

Molecular Properties

Compound Name19-hydroxy-2-(hydroxymethyl)nonadecanoic acid
PubChem CID89413827
Molecular FormulaC20H40O4
Molecular Weight344.54 g/mol
Exact Mass344.29
IUPAC Name19-hydroxy-2-(hydroxymethyl)nonadecanoic acid
SMILESO=C(O)C(CO)CCCCCCCCCCCCCCCCCO
InChIInChI=1S/C20H40O4/c21-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-19(18-22)20(23)24/h19,21-22H,1-18H2,(H,23,24)
InChIKeyUBAAJJOJBYXKQJ-UHFFFAOYSA-N
XLogP4.91
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.54
LogP ≤ 54.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-hydroxybutyl)octadecanoic acid
CID 88766543
2-(10-hydroxydecyl)icosanoic acid
CID 87534717
18-hydroxy-2-(6-methylheptyl)octadecanoic acid
CID 54382083
2-(3-hydroxypropyl)-16-methylheptadecanoic acid
CID 130475674
hydroxymethyl 19-hydroxy-2-(hydroxymethyl)nonadecanoate
CID 175307913
12-hydroxy-2-(hydroxymethyl)octadecanoic acid
CID 162814752
2-(hydroxymethyl)-12-oxooctadecanoic acid
CID 132838899
2,10-dihydroxydecanoic acid
CID 23158566
2-(2-hydroxyethyl)tetradecanoic acid
CID 54117326
2-(2-hydroxyethyl)octadecanoic acid
CID 19915552
6-hydroxy-2-(4-hydroxybutyl)decanoic acid
CID 142685881
2,8-bis(sulfanylmethyl)nonanedioic acid
CID 141431047

Frequently Asked Questions

What is the IUPAC name of 19-hydroxy-2-(hydroxymethyl)nonadecanoic acid?
The IUPAC name of 19-hydroxy-2-(hydroxymethyl)nonadecanoic acid (CID 89413827) is 19-hydroxy-2-(hydroxymethyl)nonadecanoic acid.
What is the SMILES notation for 19-hydroxy-2-(hydroxymethyl)nonadecanoic acid?
The canonical SMILES for 19-hydroxy-2-(hydroxymethyl)nonadecanoic acid is O=C(O)C(CO)CCCCCCCCCCCCCCCCCO.
What is the InChIKey of 19-hydroxy-2-(hydroxymethyl)nonadecanoic acid?
The InChIKey is UBAAJJOJBYXKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40O4/c21-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-19(18-22)20(23)24/h19,21-22H,1-18H2,(H,23,24).
What are the key properties of 19-hydroxy-2-(hydroxymethyl)nonadecanoic acid?
19-hydroxy-2-(hydroxymethyl)nonadecanoic acid has a molecular weight of 344.54 g/mol, XLogP of 4.91, 19 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 19-hydroxy-2-(hydroxymethyl)nonadecanoic acid is sourced from PubChem (CID 89413827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).