tetradecyl hexadecanoate;tetradecyl octadecanoate

C62H124O4 — CID 175830855

IUPACtetradecyl hexadecanoate;tetradecyl octadecanoate
SMILESCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCC
InChIInChI=1S/C32H64O2.C30H60O2/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32(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/h3-31H2,1-2H3;3-29H2,1-2H3
InChIKeyAHAGEPWECAMCRH-UHFFFAOYSA-N
MW933.67 g/mol
LogP22.20
Rot. Bonds56

About tetradecyl hexadecanoate;tetradecyl octadecanoate

tetradecyl hexadecanoate;tetradecyl octadecanoate (PubChem CID 175830855) has the molecular formula C62H124O4 and a molecular weight of 933.67 g/mol. Its IUPAC name is tetradecyl hexadecanoate;tetradecyl octadecanoate.

Molecular Properties

Compound Nametetradecyl hexadecanoate;tetradecyl octadecanoate
PubChem CID175830855
Molecular FormulaC62H124O4
Molecular Weight933.67 g/mol
Exact Mass932.95
IUPAC Nametetradecyl hexadecanoate;tetradecyl octadecanoate
SMILESCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCC
InChIInChI=1S/C32H64O2.C30H60O2/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32(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/h3-31H2,1-2H3;3-29H2,1-2H3
InChIKeyAHAGEPWECAMCRH-UHFFFAOYSA-N
XLogP22.20
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds56
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500933.67
LogP ≤ 522.20
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
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
dotriacontyl octadecanoate
CID 175696466

Frequently Asked Questions

What is the IUPAC name of tetradecyl hexadecanoate;tetradecyl octadecanoate?
The IUPAC name of tetradecyl hexadecanoate;tetradecyl octadecanoate (CID 175830855) is tetradecyl hexadecanoate;tetradecyl octadecanoate.
What is the SMILES notation for tetradecyl hexadecanoate;tetradecyl octadecanoate?
The canonical SMILES for tetradecyl hexadecanoate;tetradecyl octadecanoate is CCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCC.
What is the InChIKey of tetradecyl hexadecanoate;tetradecyl octadecanoate?
The InChIKey is AHAGEPWECAMCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H64O2.C30H60O2/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32(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/h3-31H2,1-2H3;3-29H2,1-2H3.
What are the key properties of tetradecyl hexadecanoate;tetradecyl octadecanoate?
tetradecyl hexadecanoate;tetradecyl octadecanoate has a molecular weight of 933.67 g/mol, XLogP of 22.20, 56 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetradecyl hexadecanoate;tetradecyl octadecanoate is sourced from PubChem (CID 175830855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).