tetradecyl hexadecanoate;tetradecyl icosanoate;tetradecyl octadecanoate;tetradecyl tetradecanoate

C124H248O8 — CID 175691785

IUPACtetradecyl hexadecanoate;tetradecyl icosanoate;tetradecyl octadecanoate;tetradecyl tetradecanoate
SMILESCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCC.CCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCC
InChIInChI=1S/C34H68O2.C32H64O2.C30H60O2.C28H56O2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34(35)36-33-31-29-27-25-23-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32(33)34-31-29-27-25-23-21-16-14-12-10-8-6-4-2;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/h3-33H2,1-2H3;3-31H2,1-2H3;3-29H2,1-2H3;3-27H2,1-2H3
InChIKeyIWMKIDPIFPSADZ-UHFFFAOYSA-N
MW1867.34 g/mol
LogP44.41
Rot. Bonds112

About tetradecyl hexadecanoate;tetradecyl icosanoate;tetradecyl octadecanoate;tetradecyl tetradecanoate

tetradecyl hexadecanoate;tetradecyl icosanoate;tetradecyl octadecanoate;tetradecyl tetradecanoate (PubChem CID 175691785) has the molecular formula C124H248O8 and a molecular weight of 1867.34 g/mol. Its IUPAC name is tetradecyl hexadecanoate;tetradecyl icosanoate;tetradecyl octadecanoate;tetradecyl tetradecanoate.

Molecular Properties

Compound Nametetradecyl hexadecanoate;tetradecyl icosanoate;tetradecyl octadecanoate;tetradecyl tetradecanoate
PubChem CID175691785
Molecular FormulaC124H248O8
Molecular Weight1867.34 g/mol
Exact Mass1865.90
IUPAC Nametetradecyl hexadecanoate;tetradecyl icosanoate;tetradecyl octadecanoate;tetradecyl tetradecanoate
SMILESCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCC.CCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCC
InChIInChI=1S/C34H68O2.C32H64O2.C30H60O2.C28H56O2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34(35)36-33-31-29-27-25-23-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32(33)34-31-29-27-25-23-21-16-14-12-10-8-6-4-2;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/h3-33H2,1-2H3;3-31H2,1-2H3;3-29H2,1-2H3;3-27H2,1-2H3
InChIKeyIWMKIDPIFPSADZ-UHFFFAOYSA-N
XLogP44.41
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds112
Heavy Atoms132
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001867.34
LogP ≤ 544.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'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 hexadecanoate;tetradecyl icosanoate;tetradecyl octadecanoate;tetradecyl tetradecanoate?
The IUPAC name of tetradecyl hexadecanoate;tetradecyl icosanoate;tetradecyl octadecanoate;tetradecyl tetradecanoate (CID 175691785) is tetradecyl hexadecanoate;tetradecyl icosanoate;tetradecyl octadecanoate;tetradecyl tetradecanoate.
What is the SMILES notation for tetradecyl hexadecanoate;tetradecyl icosanoate;tetradecyl octadecanoate;tetradecyl tetradecanoate?
The canonical SMILES for tetradecyl hexadecanoate;tetradecyl icosanoate;tetradecyl octadecanoate;tetradecyl tetradecanoate is CCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCC.CCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCC.
What is the InChIKey of tetradecyl hexadecanoate;tetradecyl icosanoate;tetradecyl octadecanoate;tetradecyl tetradecanoate?
The InChIKey is IWMKIDPIFPSADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H68O2.C32H64O2.C30H60O2.C28H56O2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34(35)36-33-31-29-27-25-23-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32(33)34-31-29-27-25-23-21-16-14-12-10-8-6-4-2;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/h3-33H2,1-2H3;3-31H2,1-2H3;3-29H2,1-2H3;3-27H2,1-2H3.
What are the key properties of tetradecyl hexadecanoate;tetradecyl icosanoate;tetradecyl octadecanoate;tetradecyl tetradecanoate?
tetradecyl hexadecanoate;tetradecyl icosanoate;tetradecyl octadecanoate;tetradecyl tetradecanoate has a molecular weight of 1867.34 g/mol, XLogP of 44.41, 112 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tetradecyl hexadecanoate;tetradecyl icosanoate;tetradecyl octadecanoate;tetradecyl tetradecanoate is sourced from PubChem (CID 175691785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).