ethenyl 15-cyclohexylpentadecanoate

C23H42O2 — CID 141448465

IUPACethenyl 15-cyclohexylpentadecanoate
SMILESC=COC(=O)CCCCCCCCCCCCCCC1CCCCC1
InChIInChI=1S/C23H42O2/c1-2-25-23(24)21-17-12-10-8-6-4-3-5-7-9-11-14-18-22-19-15-13-16-20-22/h2,22H,1,3-21H2
InChIKeyHJFQYFGERYHNKK-UHFFFAOYSA-N
MW350.59 g/mol
LogP7.71
Rot. Bonds16

About ethenyl 15-cyclohexylpentadecanoate

ethenyl 15-cyclohexylpentadecanoate (PubChem CID 141448465) has the molecular formula C23H42O2 and a molecular weight of 350.59 g/mol. Its IUPAC name is ethenyl 15-cyclohexylpentadecanoate.

Molecular Properties

Compound Nameethenyl 15-cyclohexylpentadecanoate
PubChem CID141448465
Molecular FormulaC23H42O2
Molecular Weight350.59 g/mol
Exact Mass350.32
IUPAC Nameethenyl 15-cyclohexylpentadecanoate
SMILESC=COC(=O)CCCCCCCCCCCCCCC1CCCCC1
InChIInChI=1S/C23H42O2/c1-2-25-23(24)21-17-12-10-8-6-4-3-5-7-9-11-14-18-22-19-15-13-16-20-22/h2,22H,1,3-21H2
InChIKeyHJFQYFGERYHNKK-UHFFFAOYSA-N
XLogP7.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.59
LogP ≤ 57.71
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'}

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Related Compounds

Dodecyl cyclohexanecarboxylate
CID 582159
Vinyl cyclohexanecarboxylate
CID 20985
Decyl cyclohexanecarboxylate
CID 582158
Methylcyclohexyl laurate
CID 44152546
Ethenyl 2-propylheptanoate
CID 19927099
Vinyl isononanoate
CID 44607819
Cyclohexanecarboxylic acid, tridecyl ester
CID 582152
Methyl 11-cyclohexylundecanoate
CID 13785346
Undecyl cyclohexanecarboxylate
CID 582157
Vinyl isodecanoate
CID 171905
Ethenyl 2-methyloctanoate
CID 89944953
Methylcyclohexyl stearate
CID 22608940

Frequently Asked Questions

What is the IUPAC name of ethenyl 15-cyclohexylpentadecanoate?
The IUPAC name of ethenyl 15-cyclohexylpentadecanoate (CID 141448465) is ethenyl 15-cyclohexylpentadecanoate.
What is the SMILES notation for ethenyl 15-cyclohexylpentadecanoate?
The canonical SMILES for ethenyl 15-cyclohexylpentadecanoate is C=COC(=O)CCCCCCCCCCCCCCC1CCCCC1.
What is the InChIKey of ethenyl 15-cyclohexylpentadecanoate?
The InChIKey is HJFQYFGERYHNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42O2/c1-2-25-23(24)21-17-12-10-8-6-4-3-5-7-9-11-14-18-22-19-15-13-16-20-22/h2,22H,1,3-21H2.
What are the key properties of ethenyl 15-cyclohexylpentadecanoate?
ethenyl 15-cyclohexylpentadecanoate has a molecular weight of 350.59 g/mol, XLogP of 7.71, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl 15-cyclohexylpentadecanoate is sourced from PubChem (CID 141448465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).