octadecyl hexadecanoate;octadecyl octadecanoate

C70H140O4 — CID 158008402

IUPACoctadecyl hexadecanoate;octadecyl octadecanoate
SMILESCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C36H72O2.C34H68O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38-36(37)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-33-36-34(35)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h3-35H2,1-2H3;3-33H2,1-2H3
InChIKeyFEOVGEFRYRQZIE-UHFFFAOYSA-N
MW1045.89 g/mol
LogP25.33
Rot. Bonds64

About octadecyl hexadecanoate;octadecyl octadecanoate

octadecyl hexadecanoate;octadecyl octadecanoate (PubChem CID 158008402) has the molecular formula C70H140O4 and a molecular weight of 1045.89 g/mol. Its IUPAC name is octadecyl hexadecanoate;octadecyl octadecanoate.

Molecular Properties

Compound Nameoctadecyl hexadecanoate;octadecyl octadecanoate
PubChem CID158008402
Molecular FormulaC70H140O4
Molecular Weight1045.89 g/mol
Exact Mass1045.08
IUPAC Nameoctadecyl hexadecanoate;octadecyl octadecanoate
SMILESCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C36H72O2.C34H68O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38-36(37)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-33-36-34(35)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h3-35H2,1-2H3;3-33H2,1-2H3
InChIKeyFEOVGEFRYRQZIE-UHFFFAOYSA-N
XLogP25.33
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds64
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001045.89
LogP ≤ 525.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 octadecyl hexadecanoate;octadecyl octadecanoate?
The IUPAC name of octadecyl hexadecanoate;octadecyl octadecanoate (CID 158008402) is octadecyl hexadecanoate;octadecyl octadecanoate.
What is the SMILES notation for octadecyl hexadecanoate;octadecyl octadecanoate?
The canonical SMILES for octadecyl hexadecanoate;octadecyl octadecanoate is CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCC.
What is the InChIKey of octadecyl hexadecanoate;octadecyl octadecanoate?
The InChIKey is FEOVGEFRYRQZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H72O2.C34H68O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38-36(37)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-33-36-34(35)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h3-35H2,1-2H3;3-33H2,1-2H3.
What are the key properties of octadecyl hexadecanoate;octadecyl octadecanoate?
octadecyl hexadecanoate;octadecyl octadecanoate has a molecular weight of 1045.89 g/mol, XLogP of 25.33, 64 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for octadecyl hexadecanoate;octadecyl octadecanoate is sourced from PubChem (CID 158008402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).