2-hydroxypropanoic acid;tetradecyl tetradecanoate

C31H62O5 — CID 159813702

IUPAC2-hydroxypropanoic acid;tetradecyl tetradecanoate
SMILESCC(O)C(=O)O.CCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCC
InChIInChI=1S/C28H56O2.C3H6O3/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;1-2(4)3(5)6/h3-27H2,1-2H3;2,4H,1H3,(H,5,6)
InChIKeyNLIUGKHCJVAYFS-UHFFFAOYSA-N
MW514.83 g/mol
LogP9.38
Rot. Bonds26

About 2-hydroxypropanoic acid;tetradecyl tetradecanoate

2-hydroxypropanoic acid;tetradecyl tetradecanoate (PubChem CID 159813702) has the molecular formula C31H62O5 and a molecular weight of 514.83 g/mol. Its IUPAC name is 2-hydroxypropanoic acid;tetradecyl tetradecanoate.

Molecular Properties

Compound Name2-hydroxypropanoic acid;tetradecyl tetradecanoate
PubChem CID159813702
Molecular FormulaC31H62O5
Molecular Weight514.83 g/mol
Exact Mass514.46
IUPAC Name2-hydroxypropanoic acid;tetradecyl tetradecanoate
SMILESCC(O)C(=O)O.CCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCC
InChIInChI=1S/C28H56O2.C3H6O3/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;1-2(4)3(5)6/h3-27H2,1-2H3;2,4H,1H3,(H,5,6)
InChIKeyNLIUGKHCJVAYFS-UHFFFAOYSA-N
XLogP9.38
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds26
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.83
LogP ≤ 59.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tetradecyl 2-hydroxypropanoate;tetradecyl tetradecanoate
CID 89266925
decyl decanoate;2,2-difluoroacetic acid
CID 157308759
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

Frequently Asked Questions

What is the IUPAC name of 2-hydroxypropanoic acid;tetradecyl tetradecanoate?
The IUPAC name of 2-hydroxypropanoic acid;tetradecyl tetradecanoate (CID 159813702) is 2-hydroxypropanoic acid;tetradecyl tetradecanoate.
What is the SMILES notation for 2-hydroxypropanoic acid;tetradecyl tetradecanoate?
The canonical SMILES for 2-hydroxypropanoic acid;tetradecyl tetradecanoate is CC(O)C(=O)O.CCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCC.
What is the InChIKey of 2-hydroxypropanoic acid;tetradecyl tetradecanoate?
The InChIKey is NLIUGKHCJVAYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H56O2.C3H6O3/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;1-2(4)3(5)6/h3-27H2,1-2H3;2,4H,1H3,(H,5,6).
What are the key properties of 2-hydroxypropanoic acid;tetradecyl tetradecanoate?
2-hydroxypropanoic acid;tetradecyl tetradecanoate has a molecular weight of 514.83 g/mol, XLogP of 9.38, 26 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypropanoic acid;tetradecyl tetradecanoate is sourced from PubChem (CID 159813702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).