[(Z)-2-phenylethenyl] hexadecanoate

C24H38O2 — CID 177448734

IUPAC[(Z)-2-phenylethenyl] hexadecanoate
SMILESCCCCCCCCCCCCCCCC(=O)O/C=C\c1ccccc1
InChIInChI=1S/C24H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-24(25)26-22-21-23-18-15-14-16-19-23/h14-16,18-19,21-22H,2-13,17,20H2,1H3/b22-21-
InChIKeyAEYKPVDPADDNBH-DQRAZIAOSA-N
MW358.57 g/mol
LogP7.68
Rot. Bonds16

About [(Z)-2-phenylethenyl] hexadecanoate

[(Z)-2-phenylethenyl] hexadecanoate (PubChem CID 177448734) has the molecular formula C24H38O2 and a molecular weight of 358.57 g/mol. Its IUPAC name is [(Z)-2-phenylethenyl] hexadecanoate.

Molecular Properties

Compound Name[(Z)-2-phenylethenyl] hexadecanoate
PubChem CID177448734
Molecular FormulaC24H38O2
Molecular Weight358.57 g/mol
Exact Mass358.29
IUPAC Name[(Z)-2-phenylethenyl] hexadecanoate
SMILESCCCCCCCCCCCCCCCC(=O)O/C=C\c1ccccc1
InChIInChI=1S/C24H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-24(25)26-22-21-23-18-15-14-16-19-23/h14-16,18-19,21-22H,2-13,17,20H2,1H3/b22-21-
InChIKeyAEYKPVDPADDNBH-DQRAZIAOSA-N
XLogP7.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.57
LogP ≤ 57.68
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

2-(4-hydroxyphenyl)ethenyl tetradecanoate
CID 6710065
2-phenylethenyl propanoate
CID 15502186
2-phenylethenyl 3-hydroxypropanoate
CID 174401435
1-phenylundec-1-en-3-one
CID 3805572
(Z)-1-phenyltetradec-1-en-3-one
CID 98536945
2-phenylethenyl 2-oxobutanoate
CID 68843055
prop-1-enyl dodecanoate
CID 87388098
[(E)-prop-1-enyl] dodecanoate
CID 140543660
(1E,3E)-1-phenylundeca-1,3-dien-5-one
CID 5373541
phenyl tridecanoate
CID 54389784
phenyl triacontanoate
CID 54018873
phenyl hexapentacontanoate
CID 139682998

Frequently Asked Questions

What is the IUPAC name of [(Z)-2-phenylethenyl] hexadecanoate?
The IUPAC name of [(Z)-2-phenylethenyl] hexadecanoate (CID 177448734) is [(Z)-2-phenylethenyl] hexadecanoate.
What is the SMILES notation for [(Z)-2-phenylethenyl] hexadecanoate?
The canonical SMILES for [(Z)-2-phenylethenyl] hexadecanoate is CCCCCCCCCCCCCCCC(=O)O/C=C\c1ccccc1.
What is the InChIKey of [(Z)-2-phenylethenyl] hexadecanoate?
The InChIKey is AEYKPVDPADDNBH-DQRAZIAOSA-N. The full InChI is InChI=1S/C24H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-24(25)26-22-21-23-18-15-14-16-19-23/h14-16,18-19,21-22H,2-13,17,20H2,1H3/b22-21-.
What are the key properties of [(Z)-2-phenylethenyl] hexadecanoate?
[(Z)-2-phenylethenyl] hexadecanoate has a molecular weight of 358.57 g/mol, XLogP of 7.68, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-phenylethenyl] hexadecanoate is sourced from PubChem (CID 177448734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).