hexadecyl hexadecanoate;hexadecyl tetradecanoate;octadecyl tetradecanoate;tetradecyl hexadecanoate;tetradecyl tetradecanoate

C152H304O10 — CID 173164722

IUPAChexadecyl hexadecanoate;hexadecyl tetradecanoate;octadecyl tetradecanoate;tetradecyl hexadecanoate;tetradecyl tetradecanoate
SMILESCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCC.CCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCC.CCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC.CCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCC
InChIInChI=1S/2C32H64O2.2C30H60O2.C28H56O2/c1-3-5-7-9-11-13-15-16-17-18-19-21-23-25-27-29-31-34-32(33)30-28-26-24-22-20-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-34-32(33)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-16-17-19-21-23-25-27-29-32-30(31)28-26-24-22-20-18-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30(31)32-29-27-25-23-21-19-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-27-30-28(29)26-24-22-20-18-16-14-12-10-8-6-4-2/h2*3-31H2,1-2H3;2*3-29H2,1-2H3;3-27H2,1-2H3
InChIKeyZCEYREYQKNSZLG-UHFFFAOYSA-N
MW2292.09 g/mol
LogP54.34
Rot. Bonds137

About hexadecyl hexadecanoate;hexadecyl tetradecanoate;octadecyl tetradecanoate;tetradecyl hexadecanoate;tetradecyl tetradecanoate

hexadecyl hexadecanoate;hexadecyl tetradecanoate;octadecyl tetradecanoate;tetradecyl hexadecanoate;tetradecyl tetradecanoate (PubChem CID 173164722) has the molecular formula C152H304O10 and a molecular weight of 2292.09 g/mol. Its IUPAC name is hexadecyl hexadecanoate;hexadecyl tetradecanoate;octadecyl tetradecanoate;tetradecyl hexadecanoate;tetradecyl tetradecanoate.

Molecular Properties

Compound Namehexadecyl hexadecanoate;hexadecyl tetradecanoate;octadecyl tetradecanoate;tetradecyl hexadecanoate;tetradecyl tetradecanoate
PubChem CID173164722
Molecular FormulaC152H304O10
Molecular Weight2292.09 g/mol
Exact Mass2290.33
IUPAC Namehexadecyl hexadecanoate;hexadecyl tetradecanoate;octadecyl tetradecanoate;tetradecyl hexadecanoate;tetradecyl tetradecanoate
SMILESCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCC.CCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCC.CCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC.CCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCC
InChIInChI=1S/2C32H64O2.2C30H60O2.C28H56O2/c1-3-5-7-9-11-13-15-16-17-18-19-21-23-25-27-29-31-34-32(33)30-28-26-24-22-20-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-34-32(33)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-16-17-19-21-23-25-27-29-32-30(31)28-26-24-22-20-18-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30(31)32-29-27-25-23-21-19-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-27-30-28(29)26-24-22-20-18-16-14-12-10-8-6-4-2/h2*3-31H2,1-2H3;2*3-29H2,1-2H3;3-27H2,1-2H3
InChIKeyZCEYREYQKNSZLG-UHFFFAOYSA-N
XLogP54.34
TPSA131.50 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds137
Heavy Atoms162
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002292.09
LogP ≤ 554.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze hexadecyl hexadecanoate;hexadecyl tetradecanoate;octadecyl tetradecanoate;tetradecyl hexadecanoate;tetradecyl tetradecanoate with MolForge

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Launch Full Analysis

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 hexadecyl hexadecanoate;hexadecyl tetradecanoate;octadecyl tetradecanoate;tetradecyl hexadecanoate;tetradecyl tetradecanoate?
The IUPAC name of hexadecyl hexadecanoate;hexadecyl tetradecanoate;octadecyl tetradecanoate;tetradecyl hexadecanoate;tetradecyl tetradecanoate (CID 173164722) is hexadecyl hexadecanoate;hexadecyl tetradecanoate;octadecyl tetradecanoate;tetradecyl hexadecanoate;tetradecyl tetradecanoate.
What is the SMILES notation for hexadecyl hexadecanoate;hexadecyl tetradecanoate;octadecyl tetradecanoate;tetradecyl hexadecanoate;tetradecyl tetradecanoate?
The canonical SMILES for hexadecyl hexadecanoate;hexadecyl tetradecanoate;octadecyl tetradecanoate;tetradecyl hexadecanoate;tetradecyl tetradecanoate is CCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCC.CCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCC.CCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC.CCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCC.
What is the InChIKey of hexadecyl hexadecanoate;hexadecyl tetradecanoate;octadecyl tetradecanoate;tetradecyl hexadecanoate;tetradecyl tetradecanoate?
The InChIKey is ZCEYREYQKNSZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C32H64O2.2C30H60O2.C28H56O2/c1-3-5-7-9-11-13-15-16-17-18-19-21-23-25-27-29-31-34-32(33)30-28-26-24-22-20-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-34-32(33)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-16-17-19-21-23-25-27-29-32-30(31)28-26-24-22-20-18-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30(31)32-29-27-25-23-21-19-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-27-30-28(29)26-24-22-20-18-16-14-12-10-8-6-4-2/h2*3-31H2,1-2H3;2*3-29H2,1-2H3;3-27H2,1-2H3.
What are the key properties of hexadecyl hexadecanoate;hexadecyl tetradecanoate;octadecyl tetradecanoate;tetradecyl hexadecanoate;tetradecyl tetradecanoate?
hexadecyl hexadecanoate;hexadecyl tetradecanoate;octadecyl tetradecanoate;tetradecyl hexadecanoate;tetradecyl tetradecanoate has a molecular weight of 2292.09 g/mol, XLogP of 54.34, 137 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for hexadecyl hexadecanoate;hexadecyl tetradecanoate;octadecyl tetradecanoate;tetradecyl hexadecanoate;tetradecyl tetradecanoate is sourced from PubChem (CID 173164722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).