butyl 2-ethenyl-2-octyldecanoate

C24H46O2 — CID 176900688

IUPACbutyl 2-ethenyl-2-octyldecanoate
SMILESC=CC(CCCCCCCC)(CCCCCCCC)C(=O)OCCCC
InChIInChI=1S/C24H46O2/c1-5-9-12-14-16-18-20-24(8-4,23(25)26-22-11-7-3)21-19-17-15-13-10-6-2/h8H,4-7,9-22H2,1-3H3
InChIKeySUIQKPDGLSJJQH-UHFFFAOYSA-N
MW366.63 g/mol
LogP8.00
Rot. Bonds19

About butyl 2-ethenyl-2-octyldecanoate

butyl 2-ethenyl-2-octyldecanoate (PubChem CID 176900688) has the molecular formula C24H46O2 and a molecular weight of 366.63 g/mol. Its IUPAC name is butyl 2-ethenyl-2-octyldecanoate.

Molecular Properties

Compound Namebutyl 2-ethenyl-2-octyldecanoate
PubChem CID176900688
Molecular FormulaC24H46O2
Molecular Weight366.63 g/mol
Exact Mass366.35
IUPAC Namebutyl 2-ethenyl-2-octyldecanoate
SMILESC=CC(CCCCCCCC)(CCCCCCCC)C(=O)OCCCC
InChIInChI=1S/C24H46O2/c1-5-9-12-14-16-18-20-24(8-4,23(25)26-22-11-7-3)21-19-17-15-13-10-6-2/h8H,4-7,9-22H2,1-3H3
InChIKeySUIQKPDGLSJJQH-UHFFFAOYSA-N
XLogP8.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.63
LogP ≤ 58.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of butyl 2-ethenyl-2-octyldecanoate?
The IUPAC name of butyl 2-ethenyl-2-octyldecanoate (CID 176900688) is butyl 2-ethenyl-2-octyldecanoate.
What is the SMILES notation for butyl 2-ethenyl-2-octyldecanoate?
The canonical SMILES for butyl 2-ethenyl-2-octyldecanoate is C=CC(CCCCCCCC)(CCCCCCCC)C(=O)OCCCC.
What is the InChIKey of butyl 2-ethenyl-2-octyldecanoate?
The InChIKey is SUIQKPDGLSJJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46O2/c1-5-9-12-14-16-18-20-24(8-4,23(25)26-22-11-7-3)21-19-17-15-13-10-6-2/h8H,4-7,9-22H2,1-3H3.
What are the key properties of butyl 2-ethenyl-2-octyldecanoate?
butyl 2-ethenyl-2-octyldecanoate has a molecular weight of 366.63 g/mol, XLogP of 8.00, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-ethenyl-2-octyldecanoate is sourced from PubChem (CID 176900688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).