tetradecyl 2-[2-(hydroxymethoxy)-2-oxoethoxy]acetate

C19H36O6 — CID 163950026

IUPACtetradecyl 2-[2-(hydroxymethoxy)-2-oxoethoxy]acetate
SMILESCCCCCCCCCCCCCCOC(=O)COCC(=O)OCO
InChIInChI=1S/C19H36O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-24-18(21)15-23-16-19(22)25-17-20/h20H,2-17H2,1H3
InChIKeyRYMXCUOJFJTQJG-UHFFFAOYSA-N
MW360.49 g/mol
LogP3.74
Rot. Bonds18

About tetradecyl 2-[2-(hydroxymethoxy)-2-oxoethoxy]acetate

tetradecyl 2-[2-(hydroxymethoxy)-2-oxoethoxy]acetate (PubChem CID 163950026) has the molecular formula C19H36O6 and a molecular weight of 360.49 g/mol. Its IUPAC name is tetradecyl 2-[2-(hydroxymethoxy)-2-oxoethoxy]acetate.

Molecular Properties

Compound Nametetradecyl 2-[2-(hydroxymethoxy)-2-oxoethoxy]acetate
PubChem CID163950026
Molecular FormulaC19H36O6
Molecular Weight360.49 g/mol
Exact Mass360.25
IUPAC Nametetradecyl 2-[2-(hydroxymethoxy)-2-oxoethoxy]acetate
SMILESCCCCCCCCCCCCCCOC(=O)COCC(=O)OCO
InChIInChI=1S/C19H36O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-24-18(21)15-23-16-19(22)25-17-20/h20H,2-17H2,1H3
InChIKeyRYMXCUOJFJTQJG-UHFFFAOYSA-N
XLogP3.74
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.49
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

hexyl 2-(2-nonoxy-2-oxoethoxy)acetate
CID 91709730
tetradecyl 2-(2-oxo-2-tetradecoxyethoxy)acetate
CID 102048766
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
hexacosyl 2-hydroxyacetate
CID 156789960
undecyl 2-(2-octan-2-yloxy-2-oxoethoxy)acetate
CID 91714814
octyl 2-sulfooxyacetate
CID 18955141
dodecyl 2-sulfooxyacetate
CID 18955024
CID 87119570
CID 87119570

Frequently Asked Questions

What is the IUPAC name of tetradecyl 2-[2-(hydroxymethoxy)-2-oxoethoxy]acetate?
The IUPAC name of tetradecyl 2-[2-(hydroxymethoxy)-2-oxoethoxy]acetate (CID 163950026) is tetradecyl 2-[2-(hydroxymethoxy)-2-oxoethoxy]acetate.
What is the SMILES notation for tetradecyl 2-[2-(hydroxymethoxy)-2-oxoethoxy]acetate?
The canonical SMILES for tetradecyl 2-[2-(hydroxymethoxy)-2-oxoethoxy]acetate is CCCCCCCCCCCCCCOC(=O)COCC(=O)OCO.
What is the InChIKey of tetradecyl 2-[2-(hydroxymethoxy)-2-oxoethoxy]acetate?
The InChIKey is RYMXCUOJFJTQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-24-18(21)15-23-16-19(22)25-17-20/h20H,2-17H2,1H3.
What are the key properties of tetradecyl 2-[2-(hydroxymethoxy)-2-oxoethoxy]acetate?
tetradecyl 2-[2-(hydroxymethoxy)-2-oxoethoxy]acetate has a molecular weight of 360.49 g/mol, XLogP of 3.74, 18 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tetradecyl 2-[2-(hydroxymethoxy)-2-oxoethoxy]acetate is sourced from PubChem (CID 163950026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).