tetradecyl nonanoate

C23H46O2 — CID 19767258

IUPACtetradecyl nonanoate
SMILESCCCCCCCCCCCCCCOC(=O)CCCCCCCC
InChIInChI=1S/C23H46O2/c1-3-5-7-9-11-12-13-14-15-16-18-20-22-25-23(24)21-19-17-10-8-6-4-2/h3-22H2,1-2H3
InChIKeyDIAYFNDEHKHFDP-UHFFFAOYSA-N
MW354.62 g/mol
LogP7.98
Rot. Bonds20

About tetradecyl nonanoate

tetradecyl nonanoate (PubChem CID 19767258) has the molecular formula C23H46O2 and a molecular weight of 354.62 g/mol. Its IUPAC name is tetradecyl nonanoate.

Molecular Properties

Compound Nametetradecyl nonanoate
PubChem CID19767258
Molecular FormulaC23H46O2
Molecular Weight354.62 g/mol
Exact Mass354.35
IUPAC Nametetradecyl nonanoate
SMILESCCCCCCCCCCCCCCOC(=O)CCCCCCCC
InChIInChI=1S/C23H46O2/c1-3-5-7-9-11-12-13-14-15-16-18-20-22-25-23(24)21-19-17-10-8-6-4-2/h3-22H2,1-2H3
InChIKeyDIAYFNDEHKHFDP-UHFFFAOYSA-N
XLogP7.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.62
LogP ≤ 57.98
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 tetradecyl nonanoate?
The IUPAC name of tetradecyl nonanoate (CID 19767258) is tetradecyl nonanoate.
What is the SMILES notation for tetradecyl nonanoate?
The canonical SMILES for tetradecyl nonanoate is CCCCCCCCCCCCCCOC(=O)CCCCCCCC.
What is the InChIKey of tetradecyl nonanoate?
The InChIKey is DIAYFNDEHKHFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46O2/c1-3-5-7-9-11-12-13-14-15-16-18-20-22-25-23(24)21-19-17-10-8-6-4-2/h3-22H2,1-2H3.
What are the key properties of tetradecyl nonanoate?
tetradecyl nonanoate has a molecular weight of 354.62 g/mol, XLogP of 7.98, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tetradecyl nonanoate is sourced from PubChem (CID 19767258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).