ethenyl octadecanoate;2-hydroxyethyl 2-methylprop-2-enoate

C26H48O5 — CID 88839245

IUPACethenyl octadecanoate;2-hydroxyethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCO.C=COC(=O)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C20H38O2.C6H10O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2;1-5(2)6(8)9-4-3-7/h4H,2-3,5-19H2,1H3;7H,1,3-4H2,2H3
InChIKeyRSQJIMIKUCJNHS-UHFFFAOYSA-N
MW440.67 g/mol
LogP7.03
Rot. Bonds20

About ethenyl octadecanoate;2-hydroxyethyl 2-methylprop-2-enoate

ethenyl octadecanoate;2-hydroxyethyl 2-methylprop-2-enoate (PubChem CID 88839245) has the molecular formula C26H48O5 and a molecular weight of 440.67 g/mol. Its IUPAC name is ethenyl octadecanoate;2-hydroxyethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Nameethenyl octadecanoate;2-hydroxyethyl 2-methylprop-2-enoate
PubChem CID88839245
Molecular FormulaC26H48O5
Molecular Weight440.67 g/mol
Exact Mass440.35
IUPAC Nameethenyl octadecanoate;2-hydroxyethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCO.C=COC(=O)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C20H38O2.C6H10O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2;1-5(2)6(8)9-4-3-7/h4H,2-3,5-19H2,1H3;7H,1,3-4H2,2H3
InChIKeyRSQJIMIKUCJNHS-UHFFFAOYSA-N
XLogP7.03
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds20
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.67
LogP ≤ 57.03
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

2-hydroxyethyl 2-methylprop-2-enoate;octyl 2-methylprop-2-enoate
CID 22757411
ethenyl octacosanoate
CID 54439588
ethenyl heptatriacontanoate
CID 139682782
ethenyl henpentacontanoate
CID 139683011
ethenyl tetracontanoate
CID 139682936
2-(2-methylprop-2-enoyloxy)ethyl docosanoate
CID 135130314
acetic acid;ethenyl octadecanoate
CID 87067593
ethenyl acetate;hexadecyl 2-methylprop-2-enoate
CID 174850858
ethenyl acetate;tetradecyl 2-methylprop-2-enoate
CID 175063005
ethenyl acetate;octadecyl 2-methylprop-2-enoate
CID 159374874
2-hydroxyethyl prop-2-enoate;tridecyl 2-methylprop-2-enoate
CID 87841957
ethenyl butanoate;ethenyl octadecanoate
CID 161122383

Frequently Asked Questions

What is the IUPAC name of ethenyl octadecanoate;2-hydroxyethyl 2-methylprop-2-enoate?
The IUPAC name of ethenyl octadecanoate;2-hydroxyethyl 2-methylprop-2-enoate (CID 88839245) is ethenyl octadecanoate;2-hydroxyethyl 2-methylprop-2-enoate.
What is the SMILES notation for ethenyl octadecanoate;2-hydroxyethyl 2-methylprop-2-enoate?
The canonical SMILES for ethenyl octadecanoate;2-hydroxyethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCO.C=COC(=O)CCCCCCCCCCCCCCCCC.
What is the InChIKey of ethenyl octadecanoate;2-hydroxyethyl 2-methylprop-2-enoate?
The InChIKey is RSQJIMIKUCJNHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O2.C6H10O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2;1-5(2)6(8)9-4-3-7/h4H,2-3,5-19H2,1H3;7H,1,3-4H2,2H3.
What are the key properties of ethenyl octadecanoate;2-hydroxyethyl 2-methylprop-2-enoate?
ethenyl octadecanoate;2-hydroxyethyl 2-methylprop-2-enoate has a molecular weight of 440.67 g/mol, XLogP of 7.03, 20 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl octadecanoate;2-hydroxyethyl 2-methylprop-2-enoate is sourced from PubChem (CID 88839245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).