19-hydroxynonadecyl prop-2-enoate

C22H42O3 — CID 20625688

IUPAC19-hydroxynonadecyl prop-2-enoate
SMILESC=CC(=O)OCCCCCCCCCCCCCCCCCCCO
InChIInChI=1S/C22H42O3/c1-2-22(24)25-21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-23/h2,23H,1,3-21H2
InChIKeyOFFGRIOKNWZDIZ-UHFFFAOYSA-N
MW354.58 g/mol
LogP6.34
Rot. Bonds20

About 19-hydroxynonadecyl prop-2-enoate

19-hydroxynonadecyl prop-2-enoate (PubChem CID 20625688) has the molecular formula C22H42O3 and a molecular weight of 354.58 g/mol. Its IUPAC name is 19-hydroxynonadecyl prop-2-enoate.

Molecular Properties

Compound Name19-hydroxynonadecyl prop-2-enoate
PubChem CID20625688
Molecular FormulaC22H42O3
Molecular Weight354.58 g/mol
Exact Mass354.31
IUPAC Name19-hydroxynonadecyl prop-2-enoate
SMILESC=CC(=O)OCCCCCCCCCCCCCCCCCCCO
InChIInChI=1S/C22H42O3/c1-2-22(24)25-21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-23/h2,23H,1,3-21H2
InChIKeyOFFGRIOKNWZDIZ-UHFFFAOYSA-N
XLogP6.34
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.58
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

10-hydroxydecyl prop-2-enoate
CID 14715958
11-hydroxyundecyl prop-2-enoate
CID 54223498
12-hydroxydodecyl prop-2-enoate
CID 19859974
calcium;hydride;4-hydroxybutyl prop-2-enoate
CID 175269190
8-prop-2-enoyloxyoctyl prop-2-enoate
CID 12934232
4-prop-2-enoyloxybutyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate
CID 158256375
decan-1-ol;decyl prop-2-enoate
CID 158001479
4-prop-2-enoyloxybutyl 6-hydroxyhexanoate
CID 141175225
2-hydroxyethyl prop-2-enoate;3-hydroxypropyl prop-2-enoate
CID 87909374
ethane-1,2-diol;hexyl prop-2-enoate
CID 87769837
3-(3-hydroxypropoxy)propyl prop-2-enoate
CID 54397362
3-[3-[3-[3-[3-[3-[3-[3-(3-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propyl prop-2-enoate
CID 59641461

Frequently Asked Questions

What is the IUPAC name of 19-hydroxynonadecyl prop-2-enoate?
The IUPAC name of 19-hydroxynonadecyl prop-2-enoate (CID 20625688) is 19-hydroxynonadecyl prop-2-enoate.
What is the SMILES notation for 19-hydroxynonadecyl prop-2-enoate?
The canonical SMILES for 19-hydroxynonadecyl prop-2-enoate is C=CC(=O)OCCCCCCCCCCCCCCCCCCCO.
What is the InChIKey of 19-hydroxynonadecyl prop-2-enoate?
The InChIKey is OFFGRIOKNWZDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42O3/c1-2-22(24)25-21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-23/h2,23H,1,3-21H2.
What are the key properties of 19-hydroxynonadecyl prop-2-enoate?
19-hydroxynonadecyl prop-2-enoate has a molecular weight of 354.58 g/mol, XLogP of 6.34, 20 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 19-hydroxynonadecyl prop-2-enoate is sourced from PubChem (CID 20625688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).