methyl 2-[butoxy-(2-methoxy-2-oxoethyl)phosphoryl]acetate

C10H19O6P — CID 2304620

IUPACmethyl 2-[butoxy-(2-methoxy-2-oxoethyl)phosphoryl]acetate
SMILESCCCCOP(=O)(CC(=O)OC)CC(=O)OC
InChIInChI=1S/C10H19O6P/c1-4-5-6-16-17(13,7-9(11)14-2)8-10(12)15-3/h4-8H2,1-3H3
InChIKeyLNGPRBWQKISLKB-UHFFFAOYSA-N
MW266.23 g/mol
LogP1.43
Rot. Bonds8

About methyl 2-[butoxy-(2-methoxy-2-oxoethyl)phosphoryl]acetate

methyl 2-[butoxy-(2-methoxy-2-oxoethyl)phosphoryl]acetate (PubChem CID 2304620) has the molecular formula C10H19O6P and a molecular weight of 266.23 g/mol. Its IUPAC name is methyl 2-[butoxy-(2-methoxy-2-oxoethyl)phosphoryl]acetate.

Molecular Properties

Compound Namemethyl 2-[butoxy-(2-methoxy-2-oxoethyl)phosphoryl]acetate
PubChem CID2304620
Molecular FormulaC10H19O6P
Molecular Weight266.23 g/mol
Exact Mass266.09
IUPAC Namemethyl 2-[butoxy-(2-methoxy-2-oxoethyl)phosphoryl]acetate
SMILESCCCCOP(=O)(CC(=O)OC)CC(=O)OC
InChIInChI=1S/C10H19O6P/c1-4-5-6-16-17(13,7-9(11)14-2)8-10(12)15-3/h4-8H2,1-3H3
InChIKeyLNGPRBWQKISLKB-UHFFFAOYSA-N
XLogP1.43
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.23
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

ethoxy-(2-methoxy-2-oxoethyl)phosphinic acid
CID 86208858
butoxy(ethyl)phosphinic acid
CID 71353007
dibutyl hydrogen phosphate
CID 158586372
azane;butyl dihydrogen phosphate
CID 173333807
methoxy-(2-methoxy-2-oxoethyl)phosphinic acid
CID 15715183
ethyl 2-[butoxy(ethoxy)phosphoryl]acetate
CID 87358827
[butoxy(hexyl)phosphoryl]methanol
CID 86752200
butyl 2-dipropoxyphosphorylacetate
CID 90341497
terbium;tributyl phosphate
CID 90187591
tributyl phosphate;trihydrochloride
CID 173157313
europium;tributyl phosphate
CID 90187569
lithium;dibutyl hydrogen phosphate;hydride
CID 174759631

Frequently Asked Questions

What is the IUPAC name of methyl 2-[butoxy-(2-methoxy-2-oxoethyl)phosphoryl]acetate?
The IUPAC name of methyl 2-[butoxy-(2-methoxy-2-oxoethyl)phosphoryl]acetate (CID 2304620) is methyl 2-[butoxy-(2-methoxy-2-oxoethyl)phosphoryl]acetate.
What is the SMILES notation for methyl 2-[butoxy-(2-methoxy-2-oxoethyl)phosphoryl]acetate?
The canonical SMILES for methyl 2-[butoxy-(2-methoxy-2-oxoethyl)phosphoryl]acetate is CCCCOP(=O)(CC(=O)OC)CC(=O)OC.
What is the InChIKey of methyl 2-[butoxy-(2-methoxy-2-oxoethyl)phosphoryl]acetate?
The InChIKey is LNGPRBWQKISLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19O6P/c1-4-5-6-16-17(13,7-9(11)14-2)8-10(12)15-3/h4-8H2,1-3H3.
What are the key properties of methyl 2-[butoxy-(2-methoxy-2-oxoethyl)phosphoryl]acetate?
methyl 2-[butoxy-(2-methoxy-2-oxoethyl)phosphoryl]acetate has a molecular weight of 266.23 g/mol, XLogP of 1.43, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[butoxy-(2-methoxy-2-oxoethyl)phosphoryl]acetate is sourced from PubChem (CID 2304620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).