tridecyl nonadecanoate

C32H64O2 — CID 161042448

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

About tridecyl nonadecanoate

tridecyl nonadecanoate (PubChem CID 161042448) has the molecular formula C32H64O2 and a molecular weight of 480.86 g/mol. Its IUPAC name is tridecyl nonadecanoate.

Molecular Properties

Compound Nametridecyl nonadecanoate
PubChem CID161042448
Molecular FormulaC32H64O2
Molecular Weight480.86 g/mol
Exact Mass480.49
IUPAC Nametridecyl nonadecanoate
SMILESCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCC
InChIInChI=1S/C32H64O2/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32(33)34-31-29-27-25-23-21-14-12-10-8-6-4-2/h3-31H2,1-2H3
InChIKeyUBBDLQOCIPVLTO-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
nonadecyl tridecanoate
CID 159824193
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

Frequently Asked Questions

What is the IUPAC name of tridecyl nonadecanoate?
The IUPAC name of tridecyl nonadecanoate (CID 161042448) is tridecyl nonadecanoate.
What is the SMILES notation for tridecyl nonadecanoate?
The canonical SMILES for tridecyl nonadecanoate is CCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCC.
What is the InChIKey of tridecyl nonadecanoate?
The InChIKey is UBBDLQOCIPVLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H64O2/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32(33)34-31-29-27-25-23-21-14-12-10-8-6-4-2/h3-31H2,1-2H3.
What are the key properties of tridecyl nonadecanoate?
tridecyl nonadecanoate 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 tridecyl nonadecanoate is sourced from PubChem (CID 161042448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).