(12-hydroxy-1-prop-2-enoyloxydodec-1-enyl) prop-2-enoate

C18H28O5 — CID 142766089

IUPAC(12-hydroxy-1-prop-2-enoyloxydodec-1-enyl) prop-2-enoate
SMILESC=CC(=O)OC(=CCCCCCCCCCCO)OC(=O)C=C
InChIInChI=1S/C18H28O5/c1-3-16(20)22-18(23-17(21)4-2)14-12-10-8-6-5-7-9-11-13-15-19/h3-4,14,19H,1-2,5-13,15H2
InChIKeyJMHCXKWDZYVOQK-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.79
Rot. Bonds14

About (12-hydroxy-1-prop-2-enoyloxydodec-1-enyl) prop-2-enoate

(12-hydroxy-1-prop-2-enoyloxydodec-1-enyl) prop-2-enoate (PubChem CID 142766089) has the molecular formula C18H28O5 and a molecular weight of 324.42 g/mol. Its IUPAC name is (12-hydroxy-1-prop-2-enoyloxydodec-1-enyl) prop-2-enoate.

Molecular Properties

Compound Name(12-hydroxy-1-prop-2-enoyloxydodec-1-enyl) prop-2-enoate
PubChem CID142766089
Molecular FormulaC18H28O5
Molecular Weight324.42 g/mol
Exact Mass324.19
IUPAC Name(12-hydroxy-1-prop-2-enoyloxydodec-1-enyl) prop-2-enoate
SMILESC=CC(=O)OC(=CCCCCCCCCCCO)OC(=O)C=C
InChIInChI=1S/C18H28O5/c1-3-16(20)22-18(23-17(21)4-2)14-12-10-8-6-5-7-9-11-13-15-19/h3-4,14,19H,1-2,5-13,15H2
InChIKeyJMHCXKWDZYVOQK-UHFFFAOYSA-N
XLogP3.79
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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
12-hydroxydodecyl prop-2-enoate
CID 19859974
butane-1,4-diol;prop-2-enoyl 2-methylprop-2-enoate
CID 87815570
[(E)-oct-2-en-2-yl] prop-2-enoate
CID 50900903
2,10-dihydroxydec-2-enoic acid
CID 151158314
prop-2-enoyl undec-10-enoate;zinc
CID 174962739
(1,22-dihydroxy-1-prop-2-enoyloxydocosyl) prop-2-enoate
CID 142608065
(3-phosphonooxy-1-prop-2-enoyloxyprop-1-enyl) prop-2-enoate
CID 87447167
calcium;hydride;4-hydroxybutyl prop-2-enoate
CID 175269190
decan-1-ol;decyl prop-2-enoate
CID 158001479

Frequently Asked Questions

What is the IUPAC name of (12-hydroxy-1-prop-2-enoyloxydodec-1-enyl) prop-2-enoate?
The IUPAC name of (12-hydroxy-1-prop-2-enoyloxydodec-1-enyl) prop-2-enoate (CID 142766089) is (12-hydroxy-1-prop-2-enoyloxydodec-1-enyl) prop-2-enoate.
What is the SMILES notation for (12-hydroxy-1-prop-2-enoyloxydodec-1-enyl) prop-2-enoate?
The canonical SMILES for (12-hydroxy-1-prop-2-enoyloxydodec-1-enyl) prop-2-enoate is C=CC(=O)OC(=CCCCCCCCCCCO)OC(=O)C=C.
What is the InChIKey of (12-hydroxy-1-prop-2-enoyloxydodec-1-enyl) prop-2-enoate?
The InChIKey is JMHCXKWDZYVOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O5/c1-3-16(20)22-18(23-17(21)4-2)14-12-10-8-6-5-7-9-11-13-15-19/h3-4,14,19H,1-2,5-13,15H2.
What are the key properties of (12-hydroxy-1-prop-2-enoyloxydodec-1-enyl) prop-2-enoate?
(12-hydroxy-1-prop-2-enoyloxydodec-1-enyl) prop-2-enoate has a molecular weight of 324.42 g/mol, XLogP of 3.79, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (12-hydroxy-1-prop-2-enoyloxydodec-1-enyl) prop-2-enoate is sourced from PubChem (CID 142766089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).