tetradecyl 2-hydroxypropanoate;tetradecyl tetradecanoate

C45H90O5 — CID 89266925

IUPACtetradecyl 2-hydroxypropanoate;tetradecyl tetradecanoate
SMILESCCCCCCCCCCCCCCOC(=O)C(C)O.CCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCC
InChIInChI=1S/C28H56O2.C17H34O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-30-28(29)26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-4-5-6-7-8-9-10-11-12-13-14-15-20-17(19)16(2)18/h3-27H2,1-2H3;16,18H,3-15H2,1-2H3
InChIKeyOLIXZURXEDLBBC-UHFFFAOYSA-N
MW711.21 g/mol
LogP14.54
Rot. Bonds39

About tetradecyl 2-hydroxypropanoate;tetradecyl tetradecanoate

tetradecyl 2-hydroxypropanoate;tetradecyl tetradecanoate (PubChem CID 89266925) has the molecular formula C45H90O5 and a molecular weight of 711.21 g/mol. Its IUPAC name is tetradecyl 2-hydroxypropanoate;tetradecyl tetradecanoate.

Molecular Properties

Compound Nametetradecyl 2-hydroxypropanoate;tetradecyl tetradecanoate
PubChem CID89266925
Molecular FormulaC45H90O5
Molecular Weight711.21 g/mol
Exact Mass710.68
IUPAC Nametetradecyl 2-hydroxypropanoate;tetradecyl tetradecanoate
SMILESCCCCCCCCCCCCCCOC(=O)C(C)O.CCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCC
InChIInChI=1S/C28H56O2.C17H34O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-30-28(29)26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-4-5-6-7-8-9-10-11-12-13-14-15-20-17(19)16(2)18/h3-27H2,1-2H3;16,18H,3-15H2,1-2H3
InChIKeyOLIXZURXEDLBBC-UHFFFAOYSA-N
XLogP14.54
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds39
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500711.21
LogP ≤ 514.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxypropanoic acid;tetradecyl tetradecanoate
CID 159813702
octadecyl 2-hydroxypropanoate;zinc
CID 174699116
10-O-octyl 1-O-pentyl decanedioate
CID 91729267
nonyl hexanoate
CID 576021
hexadecyl hexadecanoate;hexadecyl tetradecanoate;octadecyl tetradecanoate;tetradecyl hexadecanoate;tetradecyl tetradecanoate
CID 173164722
octadecyl hexadecanoate;octadecyl octadecanoate
CID 158008402
octacosyl tetracosanoate
CID 5320253
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

Frequently Asked Questions

What is the IUPAC name of tetradecyl 2-hydroxypropanoate;tetradecyl tetradecanoate?
The IUPAC name of tetradecyl 2-hydroxypropanoate;tetradecyl tetradecanoate (CID 89266925) is tetradecyl 2-hydroxypropanoate;tetradecyl tetradecanoate.
What is the SMILES notation for tetradecyl 2-hydroxypropanoate;tetradecyl tetradecanoate?
The canonical SMILES for tetradecyl 2-hydroxypropanoate;tetradecyl tetradecanoate is CCCCCCCCCCCCCCOC(=O)C(C)O.CCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCC.
What is the InChIKey of tetradecyl 2-hydroxypropanoate;tetradecyl tetradecanoate?
The InChIKey is OLIXZURXEDLBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H56O2.C17H34O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-30-28(29)26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-4-5-6-7-8-9-10-11-12-13-14-15-20-17(19)16(2)18/h3-27H2,1-2H3;16,18H,3-15H2,1-2H3.
What are the key properties of tetradecyl 2-hydroxypropanoate;tetradecyl tetradecanoate?
tetradecyl 2-hydroxypropanoate;tetradecyl tetradecanoate has a molecular weight of 711.21 g/mol, XLogP of 14.54, 39 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tetradecyl 2-hydroxypropanoate;tetradecyl tetradecanoate is sourced from PubChem (CID 89266925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).