ethenyl 2-ethenyldodecanoate

C16H28O2 — CID 23154721

IUPACethenyl 2-ethenyldodecanoate
SMILESC=COC(=O)C(C=C)CCCCCCCCCC
InChIInChI=1S/C16H28O2/c1-4-7-8-9-10-11-12-13-14-15(5-2)16(17)18-6-3/h5-6,15H,2-4,7-14H2,1H3
InChIKeyJHMNATFVUBGWLW-UHFFFAOYSA-N
MW252.40 g/mol
LogP5.01
Rot. Bonds12

About ethenyl 2-ethenyldodecanoate

ethenyl 2-ethenyldodecanoate (PubChem CID 23154721) has the molecular formula C16H28O2 and a molecular weight of 252.40 g/mol. Its IUPAC name is ethenyl 2-ethenyldodecanoate.

Molecular Properties

Compound Nameethenyl 2-ethenyldodecanoate
PubChem CID23154721
Molecular FormulaC16H28O2
Molecular Weight252.40 g/mol
Exact Mass252.21
IUPAC Nameethenyl 2-ethenyldodecanoate
SMILESC=COC(=O)C(C=C)CCCCCCCCCC
InChIInChI=1S/C16H28O2/c1-4-7-8-9-10-11-12-13-14-15(5-2)16(17)18-6-3/h5-6,15H,2-4,7-14H2,1H3
InChIKeyJHMNATFVUBGWLW-UHFFFAOYSA-N
XLogP5.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.40
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

Chaulmoogric acid ethyl ester
CID 23615635
Isobutyl 10-undecenoate
CID 79457
Hexyldecyl Oleate
CID 6433037
Octyldodecyl Oleate
CID 6436561
Isodecyl Oleate
CID 6436737
Butyloctyl Oleate
CID 71587487
Isostearyl Erucate
CID 91668147
Ethyl 11-(cyclopent-2-en-1-yl)undecanoate
CID 19082
Isostearyl Linoleate
CID 16718441
Octyldodecyl Erucate
CID 57478457
Ethyl 13-cyclopent-2-en-1-yltridecanoate
CID 2700
2-decyltetradecyl (13Z)-docos-13-enoate
CID 167438138

Frequently Asked Questions

What is the IUPAC name of ethenyl 2-ethenyldodecanoate?
The IUPAC name of ethenyl 2-ethenyldodecanoate (CID 23154721) is ethenyl 2-ethenyldodecanoate.
What is the SMILES notation for ethenyl 2-ethenyldodecanoate?
The canonical SMILES for ethenyl 2-ethenyldodecanoate is C=COC(=O)C(C=C)CCCCCCCCCC.
What is the InChIKey of ethenyl 2-ethenyldodecanoate?
The InChIKey is JHMNATFVUBGWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O2/c1-4-7-8-9-10-11-12-13-14-15(5-2)16(17)18-6-3/h5-6,15H,2-4,7-14H2,1H3.
What are the key properties of ethenyl 2-ethenyldodecanoate?
ethenyl 2-ethenyldodecanoate has a molecular weight of 252.40 g/mol, XLogP of 5.01, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl 2-ethenyldodecanoate is sourced from PubChem (CID 23154721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).