tetradecyl 2-(2-oxo-2-tetradecoxyethoxy)acetate

C32H62O5 — CID 102048766

IUPACtetradecyl 2-(2-oxo-2-tetradecoxyethoxy)acetate
SMILESCCCCCCCCCCCCCCOC(=O)COCC(=O)OCCCCCCCCCCCCCC
InChIInChI=1S/C32H62O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-36-31(33)29-35-30-32(34)37-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-30H2,1-2H3
InChIKeyCMIIQYZYMPXCNH-UHFFFAOYSA-N
MW526.84 g/mol
LogP9.49
Rot. Bonds30

About tetradecyl 2-(2-oxo-2-tetradecoxyethoxy)acetate

tetradecyl 2-(2-oxo-2-tetradecoxyethoxy)acetate (PubChem CID 102048766) has the molecular formula C32H62O5 and a molecular weight of 526.84 g/mol. Its IUPAC name is tetradecyl 2-(2-oxo-2-tetradecoxyethoxy)acetate.

Molecular Properties

Compound Nametetradecyl 2-(2-oxo-2-tetradecoxyethoxy)acetate
PubChem CID102048766
Molecular FormulaC32H62O5
Molecular Weight526.84 g/mol
Exact Mass526.46
IUPAC Nametetradecyl 2-(2-oxo-2-tetradecoxyethoxy)acetate
SMILESCCCCCCCCCCCCCCOC(=O)COCC(=O)OCCCCCCCCCCCCCC
InChIInChI=1S/C32H62O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-36-31(33)29-35-30-32(34)37-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-30H2,1-2H3
InChIKeyCMIIQYZYMPXCNH-UHFFFAOYSA-N
XLogP9.49
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds30
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.84
LogP ≤ 59.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

hexyl 2-(2-nonoxy-2-oxoethoxy)acetate
CID 91709730
tetradecyl 2-[2-(hydroxymethoxy)-2-oxoethoxy]acetate
CID 163950026
heptyl 2-(2-aminoethoxy)acetate
CID 79463419
heptyl 2-(2-methoxyethoxy)acetate
CID 18318708
heptadecyl 2-[2-(2,2-dimethylpropoxy)-2-oxoethoxy]acetate
CID 91696026
nonyl 2-[2-(2-methylpropoxy)-2-oxoethoxy]acetate
CID 91693511
hexyl 2-[2-(2-methylbutoxy)-2-oxoethoxy]acetate
CID 91691613
undecyl 2-(2-octan-2-yloxy-2-oxoethoxy)acetate
CID 91714814
octyl 2-sulfooxyacetate
CID 18955141
dodecyl 2-sulfooxyacetate
CID 18955024
butyl 2-[2-[2-(2-butoxy-2-oxoethoxy)ethoxy]ethoxy]acetate
CID 18318669
undecyl 2-(2-octan-4-yloxy-2-oxoethoxy)acetate
CID 91714812

Frequently Asked Questions

What is the IUPAC name of tetradecyl 2-(2-oxo-2-tetradecoxyethoxy)acetate?
The IUPAC name of tetradecyl 2-(2-oxo-2-tetradecoxyethoxy)acetate (CID 102048766) is tetradecyl 2-(2-oxo-2-tetradecoxyethoxy)acetate.
What is the SMILES notation for tetradecyl 2-(2-oxo-2-tetradecoxyethoxy)acetate?
The canonical SMILES for tetradecyl 2-(2-oxo-2-tetradecoxyethoxy)acetate is CCCCCCCCCCCCCCOC(=O)COCC(=O)OCCCCCCCCCCCCCC.
What is the InChIKey of tetradecyl 2-(2-oxo-2-tetradecoxyethoxy)acetate?
The InChIKey is CMIIQYZYMPXCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H62O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-36-31(33)29-35-30-32(34)37-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-30H2,1-2H3.
What are the key properties of tetradecyl 2-(2-oxo-2-tetradecoxyethoxy)acetate?
tetradecyl 2-(2-oxo-2-tetradecoxyethoxy)acetate has a molecular weight of 526.84 g/mol, XLogP of 9.49, 30 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tetradecyl 2-(2-oxo-2-tetradecoxyethoxy)acetate is sourced from PubChem (CID 102048766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).