3-hydroxyheptadecyl prop-2-enoate

C20H38O3 — CID 89438234

IUPAC3-hydroxyheptadecyl prop-2-enoate
SMILESC=CC(=O)OCCC(O)CCCCCCCCCCCCCC
InChIInChI=1S/C20H38O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-19(21)17-18-23-20(22)4-2/h4,19,21H,2-3,5-18H2,1H3
InChIKeyHJTAFERFJQITCM-UHFFFAOYSA-N
MW326.52 g/mol
LogP5.56
Rot. Bonds17

About 3-hydroxyheptadecyl prop-2-enoate

3-hydroxyheptadecyl prop-2-enoate (PubChem CID 89438234) has the molecular formula C20H38O3 and a molecular weight of 326.52 g/mol. Its IUPAC name is 3-hydroxyheptadecyl prop-2-enoate.

Molecular Properties

Compound Name3-hydroxyheptadecyl prop-2-enoate
PubChem CID89438234
Molecular FormulaC20H38O3
Molecular Weight326.52 g/mol
Exact Mass326.28
IUPAC Name3-hydroxyheptadecyl prop-2-enoate
SMILESC=CC(=O)OCCC(O)CCCCCCCCCCCCCC
InChIInChI=1S/C20H38O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-19(21)17-18-23-20(22)4-2/h4,19,21H,2-3,5-18H2,1H3
InChIKeyHJTAFERFJQITCM-UHFFFAOYSA-N
XLogP5.56
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.52
LogP ≤ 55.56
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

4-hydroxyoctyl prop-2-enoate
CID 142754995
3-hexylnonyl prop-2-enoate;4-nonyltridecyl prop-2-enoate;4-octyltridecyl prop-2-enoate;3-pentyldecyl prop-2-enoate
CID 159209362
(3-dodecoxy-3-hydroxypropyl) prop-2-enoate
CID 87625374
docosyl prop-2-enoate;henicosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 161245650
hexyl prop-2-enoate
CID 17259
docosyl prop-2-enoate;henicosyl prop-2-enoate;icosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 159127322
pentatriacontyl prop-2-enoate
CID 141309454
heptadecyl prop-2-enoate;hexadecyl prop-2-enoate;octadecyl prop-2-enoate;pentadecyl prop-2-enoate;tetradecyl prop-2-enoate
CID 159699669
decyl prop-2-enoate
CID 162172023
heptadecyl prop-2-enoate;hexadecyl prop-2-enoate;octadecyl prop-2-enoate;pentadecyl prop-2-enoate;tetradecyl prop-2-enoate;tridecyl prop-2-enoate
CID 159575283
6-methyltetradecyl prop-2-enoate
CID 87169125
7-methyltridecyl prop-2-enoate
CID 139834261

Frequently Asked Questions

What is the IUPAC name of 3-hydroxyheptadecyl prop-2-enoate?
The IUPAC name of 3-hydroxyheptadecyl prop-2-enoate (CID 89438234) is 3-hydroxyheptadecyl prop-2-enoate.
What is the SMILES notation for 3-hydroxyheptadecyl prop-2-enoate?
The canonical SMILES for 3-hydroxyheptadecyl prop-2-enoate is C=CC(=O)OCCC(O)CCCCCCCCCCCCCC.
What is the InChIKey of 3-hydroxyheptadecyl prop-2-enoate?
The InChIKey is HJTAFERFJQITCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-19(21)17-18-23-20(22)4-2/h4,19,21H,2-3,5-18H2,1H3.
What are the key properties of 3-hydroxyheptadecyl prop-2-enoate?
3-hydroxyheptadecyl prop-2-enoate has a molecular weight of 326.52 g/mol, XLogP of 5.56, 17 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxyheptadecyl prop-2-enoate is sourced from PubChem (CID 89438234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).