nonadecyl tridecanoate

C32H64O2 — CID 159824193

IUPACnonadecyl tridecanoate
SMILESCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCC
InChIInChI=1S/C32H64O2/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-23-25-27-29-31-34-32(33)30-28-26-24-22-14-12-10-8-6-4-2/h3-31H2,1-2H3
InChIKeyNMPSWUILZOXTDC-UHFFFAOYSA-N
MW480.86 g/mol
LogP11.49
Rot. Bonds29

About nonadecyl tridecanoate

nonadecyl tridecanoate (PubChem CID 159824193) has the molecular formula C32H64O2 and a molecular weight of 480.86 g/mol. Its IUPAC name is nonadecyl tridecanoate.

Molecular Properties

Compound Namenonadecyl tridecanoate
PubChem CID159824193
Molecular FormulaC32H64O2
Molecular Weight480.86 g/mol
Exact Mass480.49
IUPAC Namenonadecyl tridecanoate
SMILESCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCC
InChIInChI=1S/C32H64O2/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-23-25-27-29-31-34-32(33)30-28-26-24-22-14-12-10-8-6-4-2/h3-31H2,1-2H3
InChIKeyNMPSWUILZOXTDC-UHFFFAOYSA-N
XLogP11.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds29
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.86
LogP ≤ 511.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

octacosyl octacosanoate
CID 71369196
14-O-[14-[14-oxo-14-(14-tetradecanoyloxytetradecoxy)tetradecanoyl]oxytetradecyl] 1-O-(14-tetradecanoyloxytetradecyl) tetradecanedioate
CID 102181695
dodecyl henicosanoate
CID 170848157
icosyl tricosanoate
CID 168953067
1-O-heptyl 10-O-pentadecyl decanedioate
CID 91729401
tetradecyl hexadecanoate;tetradecyl octadecanoate
CID 175830855
nonyl heptanoate
CID 53437836
hexadecyl dotriacontanoate
CID 71587965
dioctyl hexanedioate
CID 161382548
14-O-[14-[14-oxo-14-[14-[14-oxo-14-(14-tetradecanoyloxytetradecoxy)tetradecanoyl]oxytetradecoxy]tetradecanoyl]oxytetradecyl] 1-O-(14-tetradecanoyloxytetradecyl) tetradecanedioate
CID 102181696
diheptyl octadecanedioate
CID 87117426
dotriacontyl octadecanoate
CID 175696466

Frequently Asked Questions

What is the IUPAC name of nonadecyl tridecanoate?
The IUPAC name of nonadecyl tridecanoate (CID 159824193) is nonadecyl tridecanoate.
What is the SMILES notation for nonadecyl tridecanoate?
The canonical SMILES for nonadecyl tridecanoate is CCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCC.
What is the InChIKey of nonadecyl tridecanoate?
The InChIKey is NMPSWUILZOXTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H64O2/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-23-25-27-29-31-34-32(33)30-28-26-24-22-14-12-10-8-6-4-2/h3-31H2,1-2H3.
What are the key properties of nonadecyl tridecanoate?
nonadecyl tridecanoate has a molecular weight of 480.86 g/mol, XLogP of 11.49, 29 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for nonadecyl tridecanoate is sourced from PubChem (CID 159824193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).