2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethyl methoxy methyl phosphate;ethane

C14H32NO9P — CID 156747378

IUPAC2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethyl methoxy methyl phosphate;ethane
SMILESCC.COOP(=O)(OC)OCCOCCOCCOCCNC(C)=O
InChIInChI=1S/C12H26NO9P.C2H6/c1-12(14)13-4-5-18-6-7-19-8-9-20-10-11-21-23(15,17-3)22-16-2;1-2/h4-11H2,1-3H3,(H,13,14);1-2H3
InChIKeyITRSLYUIBPTCBJ-UHFFFAOYSA-N
MW389.38 g/mol
LogP1.55
Rot. Bonds16

About 2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethyl methoxy methyl phosphate;ethane

2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethyl methoxy methyl phosphate;ethane (PubChem CID 156747378) has the molecular formula C14H32NO9P and a molecular weight of 389.38 g/mol. Its IUPAC name is 2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethyl methoxy methyl phosphate;ethane.

Molecular Properties

Compound Name2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethyl methoxy methyl phosphate;ethane
PubChem CID156747378
Molecular FormulaC14H32NO9P
Molecular Weight389.38 g/mol
Exact Mass389.18
IUPAC Name2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethyl methoxy methyl phosphate;ethane
SMILESCC.COOP(=O)(OC)OCCOCCOCCOCCNC(C)=O
InChIInChI=1S/C12H26NO9P.C2H6/c1-12(14)13-4-5-18-6-7-19-8-9-20-10-11-21-23(15,17-3)22-16-2;1-2/h4-11H2,1-3H3,(H,13,14);1-2H3
InChIKeyITRSLYUIBPTCBJ-UHFFFAOYSA-N
XLogP1.55
TPSA110.78 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.38
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethyl methoxy methyl phosphate;ethane?
The IUPAC name of 2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethyl methoxy methyl phosphate;ethane (CID 156747378) is 2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethyl methoxy methyl phosphate;ethane.
What is the SMILES notation for 2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethyl methoxy methyl phosphate;ethane?
The canonical SMILES for 2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethyl methoxy methyl phosphate;ethane is CC.COOP(=O)(OC)OCCOCCOCCOCCNC(C)=O.
What is the InChIKey of 2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethyl methoxy methyl phosphate;ethane?
The InChIKey is ITRSLYUIBPTCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26NO9P.C2H6/c1-12(14)13-4-5-18-6-7-19-8-9-20-10-11-21-23(15,17-3)22-16-2;1-2/h4-11H2,1-3H3,(H,13,14);1-2H3.
What are the key properties of 2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethyl methoxy methyl phosphate;ethane?
2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethyl methoxy methyl phosphate;ethane has a molecular weight of 389.38 g/mol, XLogP of 1.55, 16 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethyl methoxy methyl phosphate;ethane is sourced from PubChem (CID 156747378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).