(2-ethenoxy-2-oxoethyl) 2-ethenyloctadecanoate

C24H42O4 — CID 21484037

IUPAC(2-ethenoxy-2-oxoethyl) 2-ethenyloctadecanoate
SMILESC=COC(=O)COC(=O)C(C=C)CCCCCCCCCCCCCCCC
InChIInChI=1S/C24H42O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(5-2)24(26)28-21-23(25)27-6-3/h5-6,22H,2-4,7-21H2,1H3
InChIKeyLEDXMRKCGBNCAG-UHFFFAOYSA-N
MW394.60 g/mol
LogP6.89
Rot. Bonds20

About (2-ethenoxy-2-oxoethyl) 2-ethenyloctadecanoate

(2-ethenoxy-2-oxoethyl) 2-ethenyloctadecanoate (PubChem CID 21484037) has the molecular formula C24H42O4 and a molecular weight of 394.60 g/mol. Its IUPAC name is (2-ethenoxy-2-oxoethyl) 2-ethenyloctadecanoate.

Molecular Properties

Compound Name(2-ethenoxy-2-oxoethyl) 2-ethenyloctadecanoate
PubChem CID21484037
Molecular FormulaC24H42O4
Molecular Weight394.60 g/mol
Exact Mass394.31
IUPAC Name(2-ethenoxy-2-oxoethyl) 2-ethenyloctadecanoate
SMILESC=COC(=O)COC(=O)C(C=C)CCCCCCCCCCCCCCCC
InChIInChI=1S/C24H42O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(5-2)24(26)28-21-23(25)27-6-3/h5-6,22H,2-4,7-21H2,1H3
InChIKeyLEDXMRKCGBNCAG-UHFFFAOYSA-N
XLogP6.89
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.60
LogP ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Ethyl 2-allylhexadecanoate
CID 14785825
Sebacic acid, but-3-enyl isohexyl ester
CID 91728689
Sebacic acid, isohexyl pent-4-enyl ester
CID 91728738
Sebacic acid, isohexyl pent-4-en-2-yl ester
CID 91729318
Ethyl 2-dec-9-enyldodec-11-enoate
CID 102509341
Hexadec-1-enyl 9-methyldecanoate
CID 170848733
2-Methylhex-5-enyl undec-10-enoate
CID 11150207
Octyl 2-methyldec-9-enoate
CID 21313278
Decyl 2-methylundec-10-enoate
CID 21313296
Methyl 2-ethenyloctadecanoate
CID 22123648
Ethyl 2-(5-acetyldec-9-enoxy)acetate
CID 22759292
Ethenyl 2-ethenyldodecanoate
CID 23154721

Frequently Asked Questions

What is the IUPAC name of (2-ethenoxy-2-oxoethyl) 2-ethenyloctadecanoate?
The IUPAC name of (2-ethenoxy-2-oxoethyl) 2-ethenyloctadecanoate (CID 21484037) is (2-ethenoxy-2-oxoethyl) 2-ethenyloctadecanoate.
What is the SMILES notation for (2-ethenoxy-2-oxoethyl) 2-ethenyloctadecanoate?
The canonical SMILES for (2-ethenoxy-2-oxoethyl) 2-ethenyloctadecanoate is C=COC(=O)COC(=O)C(C=C)CCCCCCCCCCCCCCCC.
What is the InChIKey of (2-ethenoxy-2-oxoethyl) 2-ethenyloctadecanoate?
The InChIKey is LEDXMRKCGBNCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(5-2)24(26)28-21-23(25)27-6-3/h5-6,22H,2-4,7-21H2,1H3.
What are the key properties of (2-ethenoxy-2-oxoethyl) 2-ethenyloctadecanoate?
(2-ethenoxy-2-oxoethyl) 2-ethenyloctadecanoate has a molecular weight of 394.60 g/mol, XLogP of 6.89, 20 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethenoxy-2-oxoethyl) 2-ethenyloctadecanoate is sourced from PubChem (CID 21484037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).