ethyl 2-[butoxy(ethoxy)phosphoryl]acetate

C10H21O5P — CID 87358827

IUPACethyl 2-[butoxy(ethoxy)phosphoryl]acetate
SMILESCCCCOP(=O)(CC(=O)OCC)OCC
InChIInChI=1S/C10H21O5P/c1-4-7-8-15-16(12,14-6-3)9-10(11)13-5-2/h4-9H2,1-3H3
InChIKeyMSXPBMBHXGOYBI-UHFFFAOYSA-N
MW252.25 g/mol
LogP2.60
Rot. Bonds9

About ethyl 2-[butoxy(ethoxy)phosphoryl]acetate

ethyl 2-[butoxy(ethoxy)phosphoryl]acetate (PubChem CID 87358827) has the molecular formula C10H21O5P and a molecular weight of 252.25 g/mol. Its IUPAC name is ethyl 2-[butoxy(ethoxy)phosphoryl]acetate.

Molecular Properties

Compound Nameethyl 2-[butoxy(ethoxy)phosphoryl]acetate
PubChem CID87358827
Molecular FormulaC10H21O5P
Molecular Weight252.25 g/mol
Exact Mass252.11
IUPAC Nameethyl 2-[butoxy(ethoxy)phosphoryl]acetate
SMILESCCCCOP(=O)(CC(=O)OCC)OCC
InChIInChI=1S/C10H21O5P/c1-4-7-8-15-16(12,14-6-3)9-10(11)13-5-2/h4-9H2,1-3H3
InChIKeyMSXPBMBHXGOYBI-UHFFFAOYSA-N
XLogP2.60
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.25
LogP ≤ 52.60
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

ethyl 2-diethoxyphosphorylacetate
CID 10911236
dodecyl 2-[dodecoxy(ethoxy)phosphoryl]acetate
CID 87327786
butyl 2-dipropoxyphosphorylacetate
CID 90341497
decyl 2-diethoxyphosphorylacetate
CID 87375988
ethyl 2-[ethoxy(ethylperoxy)phosphoryl]acetate
CID 87652447
ethyl 3-didodecoxyphosphorylpropanoate
CID 87376118
butyl 2-carbonochloridoyloxy-2-(2-diethoxyphosphorylacetyl)oxyacetate
CID 86583954
ethyl 3-dibutoxyphosphorylbutanoate
CID 172832682
butyl 4-diethoxyphosphorylbutanoate
CID 90341403
15-oxopentadecyl 2-diethoxyphosphorylacetate
CID 101499062
ethyl 2-[bis(2,2,2-trifluoroethoxy)phosphoryl]acetate
CID 11759356
2-dibutoxyphosphoryl-N,N-dioctylacetamide
CID 118060028

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[butoxy(ethoxy)phosphoryl]acetate?
The IUPAC name of ethyl 2-[butoxy(ethoxy)phosphoryl]acetate (CID 87358827) is ethyl 2-[butoxy(ethoxy)phosphoryl]acetate.
What is the SMILES notation for ethyl 2-[butoxy(ethoxy)phosphoryl]acetate?
The canonical SMILES for ethyl 2-[butoxy(ethoxy)phosphoryl]acetate is CCCCOP(=O)(CC(=O)OCC)OCC.
What is the InChIKey of ethyl 2-[butoxy(ethoxy)phosphoryl]acetate?
The InChIKey is MSXPBMBHXGOYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21O5P/c1-4-7-8-15-16(12,14-6-3)9-10(11)13-5-2/h4-9H2,1-3H3.
What are the key properties of ethyl 2-[butoxy(ethoxy)phosphoryl]acetate?
ethyl 2-[butoxy(ethoxy)phosphoryl]acetate has a molecular weight of 252.25 g/mol, XLogP of 2.60, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[butoxy(ethoxy)phosphoryl]acetate is sourced from PubChem (CID 87358827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).