2,3-dihydroxypropyl 2-ethyldodecanoate

C17H34O4 — CID 175496101

IUPAC2,3-dihydroxypropyl 2-ethyldodecanoate
SMILESCCCCCCCCCCC(CC)C(=O)OCC(O)CO
InChIInChI=1S/C17H34O4/c1-3-5-6-7-8-9-10-11-12-15(4-2)17(20)21-14-16(19)13-18/h15-16,18-19H,3-14H2,1-2H3
InChIKeyVBJGUXUZADDJLL-UHFFFAOYSA-N
MW302.45 g/mol
LogP3.44
Rot. Bonds14

About 2,3-dihydroxypropyl 2-ethyldodecanoate

2,3-dihydroxypropyl 2-ethyldodecanoate (PubChem CID 175496101) has the molecular formula C17H34O4 and a molecular weight of 302.45 g/mol. Its IUPAC name is 2,3-dihydroxypropyl 2-ethyldodecanoate.

Molecular Properties

Compound Name2,3-dihydroxypropyl 2-ethyldodecanoate
PubChem CID175496101
Molecular FormulaC17H34O4
Molecular Weight302.45 g/mol
Exact Mass302.25
IUPAC Name2,3-dihydroxypropyl 2-ethyldodecanoate
SMILESCCCCCCCCCCC(CC)C(=O)OCC(O)CO
InChIInChI=1S/C17H34O4/c1-3-5-6-7-8-9-10-11-12-15(4-2)17(20)21-14-16(19)13-18/h15-16,18-19H,3-14H2,1-2H3
InChIKeyVBJGUXUZADDJLL-UHFFFAOYSA-N
XLogP3.44
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.45
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,3-dihydroxypropyl 2-octylpentatriacontanoate
CID 174634384
2,3-dihydroxypropyl 2-hexadecylicosanoate
CID 175104838
2,3-dihydroxypropyl 2-ethylpentanoate
CID 58455240
2,3-dihydroxypropyl 2-hexadec-7-enylicos-11-enoate
CID 90771679
2,3-dihydroxypropyl 2-prop-2-enyloctadecanoate
CID 87556973
11-(2,3-dihydroxypropoxycarbonyl)heptadecanoate
CID 91757308
2,3-dihydroxypropyl 2-methyltetradecanoate
CID 71388379
2-methylpropyl 2-ethylnonanoate
CID 175297252
[3-(2-hexyldecoxy)-2-hydroxypropyl] 2-ethylhexanoate
CID 71398721
ethyl 2-ethyldocosanoate
CID 175304380
2-heptylundecyl 2-ethylhexanoate
CID 88536856
[2-hydroxy-3-(2-octyldodecanoyloxy)propyl]-trimethylazanium
CID 11059639

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxypropyl 2-ethyldodecanoate?
The IUPAC name of 2,3-dihydroxypropyl 2-ethyldodecanoate (CID 175496101) is 2,3-dihydroxypropyl 2-ethyldodecanoate.
What is the SMILES notation for 2,3-dihydroxypropyl 2-ethyldodecanoate?
The canonical SMILES for 2,3-dihydroxypropyl 2-ethyldodecanoate is CCCCCCCCCCC(CC)C(=O)OCC(O)CO.
What is the InChIKey of 2,3-dihydroxypropyl 2-ethyldodecanoate?
The InChIKey is VBJGUXUZADDJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O4/c1-3-5-6-7-8-9-10-11-12-15(4-2)17(20)21-14-16(19)13-18/h15-16,18-19H,3-14H2,1-2H3.
What are the key properties of 2,3-dihydroxypropyl 2-ethyldodecanoate?
2,3-dihydroxypropyl 2-ethyldodecanoate has a molecular weight of 302.45 g/mol, XLogP of 3.44, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxypropyl 2-ethyldodecanoate is sourced from PubChem (CID 175496101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).