2-(1,2-dihydroxypropan-2-yl)hexadecanoic acid

C19H38O4 — CID 137365006

IUPAC2-(1,2-dihydroxypropan-2-yl)hexadecanoic acid
SMILESCCCCCCCCCCCCCCC(C(=O)O)C(C)(O)CO
InChIInChI=1S/C19H38O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17(18(21)22)19(2,23)16-20/h17,20,23H,3-16H2,1-2H3,(H,21,22)
InChIKeyLAWOKXBERPEJAT-UHFFFAOYSA-N
MW330.51 g/mol
LogP4.52
Rot. Bonds16

About 2-(1,2-dihydroxypropan-2-yl)hexadecanoic acid

2-(1,2-dihydroxypropan-2-yl)hexadecanoic acid (PubChem CID 137365006) has the molecular formula C19H38O4 and a molecular weight of 330.51 g/mol. Its IUPAC name is 2-(1,2-dihydroxypropan-2-yl)hexadecanoic acid.

Molecular Properties

Compound Name2-(1,2-dihydroxypropan-2-yl)hexadecanoic acid
PubChem CID137365006
Molecular FormulaC19H38O4
Molecular Weight330.51 g/mol
Exact Mass330.28
IUPAC Name2-(1,2-dihydroxypropan-2-yl)hexadecanoic acid
SMILESCCCCCCCCCCCCCCC(C(=O)O)C(C)(O)CO
InChIInChI=1S/C19H38O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17(18(21)22)19(2,23)16-20/h17,20,23H,3-16H2,1-2H3,(H,21,22)
InChIKeyLAWOKXBERPEJAT-UHFFFAOYSA-N
XLogP4.52
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.51
LogP ≤ 54.52
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-heptadecylicosanoic acid
CID 57459073
2-nonyldodecanoic acid
CID 57283654
2-pentyldodecanoic acid
CID 18521426
2-undecylhexadecanoic acid
CID 139670823
2-hexylpentacosanoic acid
CID 158257677
2-nonylpentadecanoic acid
CID 139605044
(2S)-2-heptyldecanoic acid
CID 171991627
2-dodecyloctacosanoic acid
CID 90897371
2-dodecyldotriacontanoic acid
CID 90853745
2-dodecylhexadecanoic acid;2-dodecylicosanoic acid;2-dodecyloctadecanoic acid;2-hexadecyloctadecanoic acid;2-tetradecylhexadecanoic acid;2-tetradecyloctadecanoic acid
CID 173164625
2-hexylnonanoic acid
CID 18521424
3,3-dimethyl-2-nonylpentanedioic acid
CID 87252473

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dihydroxypropan-2-yl)hexadecanoic acid?
The IUPAC name of 2-(1,2-dihydroxypropan-2-yl)hexadecanoic acid (CID 137365006) is 2-(1,2-dihydroxypropan-2-yl)hexadecanoic acid.
What is the SMILES notation for 2-(1,2-dihydroxypropan-2-yl)hexadecanoic acid?
The canonical SMILES for 2-(1,2-dihydroxypropan-2-yl)hexadecanoic acid is CCCCCCCCCCCCCCC(C(=O)O)C(C)(O)CO.
What is the InChIKey of 2-(1,2-dihydroxypropan-2-yl)hexadecanoic acid?
The InChIKey is LAWOKXBERPEJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17(18(21)22)19(2,23)16-20/h17,20,23H,3-16H2,1-2H3,(H,21,22).
What are the key properties of 2-(1,2-dihydroxypropan-2-yl)hexadecanoic acid?
2-(1,2-dihydroxypropan-2-yl)hexadecanoic acid has a molecular weight of 330.51 g/mol, XLogP of 4.52, 16 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dihydroxypropan-2-yl)hexadecanoic acid is sourced from PubChem (CID 137365006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).