3-phenylprop-2-enyl undec-10-enoate

C20H28O2 — CID 5058041

IUPAC3-phenylprop-2-enyl undec-10-enoate
SMILESC=CCCCCCCCCC(=O)OCC=Cc1ccccc1
InChIInChI=1S/C20H28O2/c1-2-3-4-5-6-7-8-12-17-20(21)22-18-13-16-19-14-10-9-11-15-19/h2,9-11,13-16H,1,3-8,12,17-18H2
InChIKeyDKZXHZRLRYJPPJ-UHFFFAOYSA-N
MW300.44 g/mol
LogP5.55
Rot. Bonds12

About 3-phenylprop-2-enyl undec-10-enoate

3-phenylprop-2-enyl undec-10-enoate (PubChem CID 5058041) has the molecular formula C20H28O2 and a molecular weight of 300.44 g/mol. Its IUPAC name is 3-phenylprop-2-enyl undec-10-enoate.

Molecular Properties

Compound Name3-phenylprop-2-enyl undec-10-enoate
PubChem CID5058041
Molecular FormulaC20H28O2
Molecular Weight300.44 g/mol
Exact Mass300.21
IUPAC Name3-phenylprop-2-enyl undec-10-enoate
SMILESC=CCCCCCCCCC(=O)OCC=Cc1ccccc1
InChIInChI=1S/C20H28O2/c1-2-3-4-5-6-7-8-12-17-20(21)22-18-13-16-19-14-10-9-11-15-19/h2,9-11,13-16H,1,3-8,12,17-18H2
InChIKeyDKZXHZRLRYJPPJ-UHFFFAOYSA-N
XLogP5.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.44
LogP ≤ 55.55
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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Related Compounds

6-oxo-6-(3-phenylprop-2-enoxy)hexanoic acid
CID 154188751
ethenyl 20-phenylicos-19-enoate
CID 141418818
3-phenylprop-2-enyl 9-cyclopropylnonanoate
CID 54535707
5-oxo-5-[(E)-3-phenylprop-2-enoxy]pentanoate
CID 2304663
ethyl (E)-8-phenyloct-7-enoate
CID 139263664
ethyl (E)-7-phenylhept-6-enoate
CID 134964924
3-phenylprop-2-enyl butanoate;[(E)-3-phenylprop-2-enyl] butanoate
CID 89428693
[(E)-3-phenylprop-2-enyl] prop-2-enyl carbonate
CID 13272699
[(E)-3-phenylprop-2-enyl] butanoate;[(E)-3-phenylprop-2-enyl] (E)-3-phenylprop-2-enoate
CID 174922543
bis[(E)-3-phenylprop-2-enyl] (Z)-but-2-enedioate
CID 70543374
[(E)-3-(4-hydroxyphenyl)prop-2-enyl] hexacosanoate
CID 141473450
bis(3-phenylprop-2-enyl) 2-hydroxybutanedioate
CID 86005171

Frequently Asked Questions

What is the IUPAC name of 3-phenylprop-2-enyl undec-10-enoate?
The IUPAC name of 3-phenylprop-2-enyl undec-10-enoate (CID 5058041) is 3-phenylprop-2-enyl undec-10-enoate.
What is the SMILES notation for 3-phenylprop-2-enyl undec-10-enoate?
The canonical SMILES for 3-phenylprop-2-enyl undec-10-enoate is C=CCCCCCCCCC(=O)OCC=Cc1ccccc1.
What is the InChIKey of 3-phenylprop-2-enyl undec-10-enoate?
The InChIKey is DKZXHZRLRYJPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28O2/c1-2-3-4-5-6-7-8-12-17-20(21)22-18-13-16-19-14-10-9-11-15-19/h2,9-11,13-16H,1,3-8,12,17-18H2.
What are the key properties of 3-phenylprop-2-enyl undec-10-enoate?
3-phenylprop-2-enyl undec-10-enoate has a molecular weight of 300.44 g/mol, XLogP of 5.55, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylprop-2-enyl undec-10-enoate is sourced from PubChem (CID 5058041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).