12-hydroxydodecyl prop-2-enoate

C15H28O3 — CID 19859974

IUPAC12-hydroxydodecyl prop-2-enoate
SMILESC=CC(=O)OCCCCCCCCCCCCO
InChIInChI=1S/C15H28O3/c1-2-15(17)18-14-12-10-8-6-4-3-5-7-9-11-13-16/h2,16H,1,3-14H2
InChIKeyNKYRAXWYDRHWOG-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.61
Rot. Bonds13

About 12-hydroxydodecyl prop-2-enoate

12-hydroxydodecyl prop-2-enoate (PubChem CID 19859974) has the molecular formula C15H28O3 and a molecular weight of 256.39 g/mol. Its IUPAC name is 12-hydroxydodecyl prop-2-enoate.

Molecular Properties

Compound Name12-hydroxydodecyl prop-2-enoate
PubChem CID19859974
Molecular FormulaC15H28O3
Molecular Weight256.39 g/mol
Exact Mass256.20
IUPAC Name12-hydroxydodecyl prop-2-enoate
SMILESC=CC(=O)OCCCCCCCCCCCCO
InChIInChI=1S/C15H28O3/c1-2-15(17)18-14-12-10-8-6-4-3-5-7-9-11-13-16/h2,16H,1,3-14H2
InChIKeyNKYRAXWYDRHWOG-UHFFFAOYSA-N
XLogP3.61
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.61
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
19-hydroxynonadecyl prop-2-enoate
CID 20625688
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 12-hydroxydodecyl prop-2-enoate?
The IUPAC name of 12-hydroxydodecyl prop-2-enoate (CID 19859974) is 12-hydroxydodecyl prop-2-enoate.
What is the SMILES notation for 12-hydroxydodecyl prop-2-enoate?
The canonical SMILES for 12-hydroxydodecyl prop-2-enoate is C=CC(=O)OCCCCCCCCCCCCO.
What is the InChIKey of 12-hydroxydodecyl prop-2-enoate?
The InChIKey is NKYRAXWYDRHWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O3/c1-2-15(17)18-14-12-10-8-6-4-3-5-7-9-11-13-16/h2,16H,1,3-14H2.
What are the key properties of 12-hydroxydodecyl prop-2-enoate?
12-hydroxydodecyl prop-2-enoate has a molecular weight of 256.39 g/mol, XLogP of 3.61, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-hydroxydodecyl prop-2-enoate is sourced from PubChem (CID 19859974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).