decyl 2-diethoxyphosphorylacetate

C16H33O5P — CID 87375988

IUPACdecyl 2-diethoxyphosphorylacetate
SMILESCCCCCCCCCCOC(=O)CP(=O)(OCC)OCC
InChIInChI=1S/C16H33O5P/c1-4-7-8-9-10-11-12-13-14-19-16(17)15-22(18,20-5-2)21-6-3/h4-15H2,1-3H3
InChIKeyUSPOLAIZMHSVBJ-UHFFFAOYSA-N
MW336.41 g/mol
LogP4.94
Rot. Bonds15

About decyl 2-diethoxyphosphorylacetate

decyl 2-diethoxyphosphorylacetate (PubChem CID 87375988) has the molecular formula C16H33O5P and a molecular weight of 336.41 g/mol. Its IUPAC name is decyl 2-diethoxyphosphorylacetate.

Molecular Properties

Compound Namedecyl 2-diethoxyphosphorylacetate
PubChem CID87375988
Molecular FormulaC16H33O5P
Molecular Weight336.41 g/mol
Exact Mass336.21
IUPAC Namedecyl 2-diethoxyphosphorylacetate
SMILESCCCCCCCCCCOC(=O)CP(=O)(OCC)OCC
InChIInChI=1S/C16H33O5P/c1-4-7-8-9-10-11-12-13-14-19-16(17)15-22(18,20-5-2)21-6-3/h4-15H2,1-3H3
InChIKeyUSPOLAIZMHSVBJ-UHFFFAOYSA-N
XLogP4.94
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

dodecyl 2-[dodecoxy(ethoxy)phosphoryl]acetate
CID 87327786
15-oxopentadecyl 2-diethoxyphosphorylacetate
CID 101499062
butyl 2-dipropoxyphosphorylacetate
CID 90341497
ethyl 2-[butoxy(ethoxy)phosphoryl]acetate
CID 87358827
ethyl 2-diethoxyphosphorylacetate
CID 10911236
butyl 4-diethoxyphosphorylbutanoate
CID 90341403
butyl 2-carbonochloridoyloxy-2-(2-diethoxyphosphorylacetyl)oxyacetate
CID 86583954
1-O-octyl 4-O-undecyl butanedioate
CID 91702141
dihexadecyl butanedioate
CID 3572854
1-O-dodecyl 4-O-octadecyl butanedioate
CID 151076861
1-didecoxyphosphorylpropan-2-one
CID 176899433
2-dioctoxyphosphorylacetic acid
CID 121493906

Frequently Asked Questions

What is the IUPAC name of decyl 2-diethoxyphosphorylacetate?
The IUPAC name of decyl 2-diethoxyphosphorylacetate (CID 87375988) is decyl 2-diethoxyphosphorylacetate.
What is the SMILES notation for decyl 2-diethoxyphosphorylacetate?
The canonical SMILES for decyl 2-diethoxyphosphorylacetate is CCCCCCCCCCOC(=O)CP(=O)(OCC)OCC.
What is the InChIKey of decyl 2-diethoxyphosphorylacetate?
The InChIKey is USPOLAIZMHSVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33O5P/c1-4-7-8-9-10-11-12-13-14-19-16(17)15-22(18,20-5-2)21-6-3/h4-15H2,1-3H3.
What are the key properties of decyl 2-diethoxyphosphorylacetate?
decyl 2-diethoxyphosphorylacetate has a molecular weight of 336.41 g/mol, XLogP of 4.94, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for decyl 2-diethoxyphosphorylacetate is sourced from PubChem (CID 87375988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).