tetradecyl 2-formyloxyacetate

C17H32O4 — CID 54376486

IUPACtetradecyl 2-formyloxyacetate
SMILESCCCCCCCCCCCCCCOC(=O)COC=O
InChIInChI=1S/C17H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-17(19)15-20-16-18/h16H,2-15H2,1H3
InChIKeyCUUGEDUWJZAHMH-UHFFFAOYSA-N
MW300.44 g/mol
LogP4.40
Rot. Bonds16

About tetradecyl 2-formyloxyacetate

tetradecyl 2-formyloxyacetate (PubChem CID 54376486) has the molecular formula C17H32O4 and a molecular weight of 300.44 g/mol. Its IUPAC name is tetradecyl 2-formyloxyacetate.

Molecular Properties

Compound Nametetradecyl 2-formyloxyacetate
PubChem CID54376486
Molecular FormulaC17H32O4
Molecular Weight300.44 g/mol
Exact Mass300.23
IUPAC Nametetradecyl 2-formyloxyacetate
SMILESCCCCCCCCCCCCCCOC(=O)COC=O
InChIInChI=1S/C17H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-17(19)15-20-16-18/h16H,2-15H2,1H3
InChIKeyCUUGEDUWJZAHMH-UHFFFAOYSA-N
XLogP4.40
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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-oxo-2-tetradecoxyethoxy)acetate
CID 102048766
butyl 6-formyloxyhexanoate
CID 57230567
9-formyloxynonyl octadec-9-enoate
CID 123242605
dihexadecyl butanedioate
CID 3572854
1-O-octyl 4-O-undecyl butanedioate
CID 91702141
1-O-dodecyl 4-O-octadecyl butanedioate
CID 151076861
heptyl 2-(2-aminoethoxy)acetate
CID 79463419
(2-hexadecoxy-2-oxoethyl) hexanoate
CID 146318627
hexacosyl formate
CID 87446465
tetradecyl 2-[2-(hydroxymethoxy)-2-oxoethoxy]acetate
CID 163950026
heptyl 2-(2-methoxyethoxy)acetate
CID 18318708

Frequently Asked Questions

What is the IUPAC name of tetradecyl 2-formyloxyacetate?
The IUPAC name of tetradecyl 2-formyloxyacetate (CID 54376486) is tetradecyl 2-formyloxyacetate.
What is the SMILES notation for tetradecyl 2-formyloxyacetate?
The canonical SMILES for tetradecyl 2-formyloxyacetate is CCCCCCCCCCCCCCOC(=O)COC=O.
What is the InChIKey of tetradecyl 2-formyloxyacetate?
The InChIKey is CUUGEDUWJZAHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-17(19)15-20-16-18/h16H,2-15H2,1H3.
What are the key properties of tetradecyl 2-formyloxyacetate?
tetradecyl 2-formyloxyacetate has a molecular weight of 300.44 g/mol, XLogP of 4.40, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetradecyl 2-formyloxyacetate is sourced from PubChem (CID 54376486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).