prop-2-enyl tridecanoate

C16H30O2 — CID 91752122

IUPACprop-2-enyl tridecanoate
SMILESC=CCOC(=O)CCCCCCCCCCCC
InChIInChI=1S/C16H30O2/c1-3-5-6-7-8-9-10-11-12-13-14-16(17)18-15-4-2/h4H,2-3,5-15H2,1H3
InChIKeyXVYSUWDBWVPTGL-UHFFFAOYSA-N
MW254.41 g/mol
LogP5.03
Rot. Bonds13

About prop-2-enyl tridecanoate

prop-2-enyl tridecanoate (PubChem CID 91752122) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is prop-2-enyl tridecanoate.

Molecular Properties

Compound Nameprop-2-enyl tridecanoate
PubChem CID91752122
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Nameprop-2-enyl tridecanoate
SMILESC=CCOC(=O)CCCCCCCCCCCC
InChIInChI=1S/C16H30O2/c1-3-5-6-7-8-9-10-11-12-13-14-16(17)18-15-4-2/h4H,2-3,5-15H2,1H3
InChIKeyXVYSUWDBWVPTGL-UHFFFAOYSA-N
XLogP5.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.41
LogP ≤ 55.03
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

prop-2-enyl pentadecanoate
CID 87531612
but-3-enyl heptanoate
CID 539056
but-2-enyl octanoate
CID 141242223
prop-2-enyl 2-oxooctadecanoate
CID 140945960
prop-2-enyl 3-cyclohexylpropanoate;prop-2-enyl heptanoate
CID 157403985
octadecyl icosanoate;prop-2-en-1-amine
CID 174367703
ethenyl octacosanoate
CID 54439588
ethenyl heptatriacontanoate
CID 139682782
10-O-ethenyl 1-O-prop-2-enyl decanedioate
CID 87433585
ethenyl henpentacontanoate
CID 139683011
ethenyl tetracontanoate
CID 139682936
8-oxo-8-prop-2-enoxyoctanoic acid
CID 71357331

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl tridecanoate?
The IUPAC name of prop-2-enyl tridecanoate (CID 91752122) is prop-2-enyl tridecanoate.
What is the SMILES notation for prop-2-enyl tridecanoate?
The canonical SMILES for prop-2-enyl tridecanoate is C=CCOC(=O)CCCCCCCCCCCC.
What is the InChIKey of prop-2-enyl tridecanoate?
The InChIKey is XVYSUWDBWVPTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2/c1-3-5-6-7-8-9-10-11-12-13-14-16(17)18-15-4-2/h4H,2-3,5-15H2,1H3.
What are the key properties of prop-2-enyl tridecanoate?
prop-2-enyl tridecanoate has a molecular weight of 254.41 g/mol, XLogP of 5.03, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl tridecanoate is sourced from PubChem (CID 91752122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).