6-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]-4-hydroxyoxane-2-carboxylic acid;ethane

C16H31NO8 — CID 178003190

IUPAC6-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]-4-hydroxyoxane-2-carboxylic acid;ethane
SMILESCC.CC(=O)NCCOCCOCCOC1CC(O)CC(C(=O)O)O1
InChIInChI=1S/C14H25NO8.C2H6/c1-10(16)15-2-3-20-4-5-21-6-7-22-13-9-11(17)8-12(23-13)14(18)19;1-2/h11-13,17H,2-9H2,1H3,(H,15,16)(H,18,19);1-2H3
InChIKeyLKLGKEKIUVAWNR-UHFFFAOYSA-N
MW365.42 g/mol
LogP0.15
Rot. Bonds11

About 6-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]-4-hydroxyoxane-2-carboxylic acid;ethane

6-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]-4-hydroxyoxane-2-carboxylic acid;ethane (PubChem CID 178003190) has the molecular formula C16H31NO8 and a molecular weight of 365.42 g/mol. Its IUPAC name is 6-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]-4-hydroxyoxane-2-carboxylic acid;ethane.

Molecular Properties

Compound Name6-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]-4-hydroxyoxane-2-carboxylic acid;ethane
PubChem CID178003190
Molecular FormulaC16H31NO8
Molecular Weight365.42 g/mol
Exact Mass365.20
IUPAC Name6-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]-4-hydroxyoxane-2-carboxylic acid;ethane
SMILESCC.CC(=O)NCCOCCOCCOC1CC(O)CC(C(=O)O)O1
InChIInChI=1S/C14H25NO8.C2H6/c1-10(16)15-2-3-20-4-5-21-6-7-22-13-9-11(17)8-12(23-13)14(18)19;1-2/h11-13,17H,2-9H2,1H3,(H,15,16)(H,18,19);1-2H3
InChIKeyLKLGKEKIUVAWNR-UHFFFAOYSA-N
XLogP0.15
TPSA123.55 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.42
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]-4-hydroxyoxane-2-carboxylic acid;ethane?
The IUPAC name of 6-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]-4-hydroxyoxane-2-carboxylic acid;ethane (CID 178003190) is 6-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]-4-hydroxyoxane-2-carboxylic acid;ethane.
What is the SMILES notation for 6-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]-4-hydroxyoxane-2-carboxylic acid;ethane?
The canonical SMILES for 6-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]-4-hydroxyoxane-2-carboxylic acid;ethane is CC.CC(=O)NCCOCCOCCOC1CC(O)CC(C(=O)O)O1.
What is the InChIKey of 6-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]-4-hydroxyoxane-2-carboxylic acid;ethane?
The InChIKey is LKLGKEKIUVAWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO8.C2H6/c1-10(16)15-2-3-20-4-5-21-6-7-22-13-9-11(17)8-12(23-13)14(18)19;1-2/h11-13,17H,2-9H2,1H3,(H,15,16)(H,18,19);1-2H3.
What are the key properties of 6-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]-4-hydroxyoxane-2-carboxylic acid;ethane?
6-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]-4-hydroxyoxane-2-carboxylic acid;ethane has a molecular weight of 365.42 g/mol, XLogP of 0.15, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]-4-hydroxyoxane-2-carboxylic acid;ethane is sourced from PubChem (CID 178003190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).