2-[2-(2-pentoxypropoxy)ethoxy]ethyl hydrogen carbonate

C13H26O6 — CID 19862043

IUPAC2-[2-(2-pentoxypropoxy)ethoxy]ethyl hydrogen carbonate
SMILESCCCCCOC(C)COCCOCCOC(=O)O
InChIInChI=1S/C13H26O6/c1-3-4-5-6-18-12(2)11-17-8-7-16-9-10-19-13(14)15/h12H,3-11H2,1-2H3,(H,14,15)
InChIKeyLJLYPLPHFAGXGX-UHFFFAOYSA-N
MW278.34 g/mol
LogP2.31
Rot. Bonds13

About 2-[2-(2-pentoxypropoxy)ethoxy]ethyl hydrogen carbonate

2-[2-(2-pentoxypropoxy)ethoxy]ethyl hydrogen carbonate (PubChem CID 19862043) has the molecular formula C13H26O6 and a molecular weight of 278.34 g/mol. Its IUPAC name is 2-[2-(2-pentoxypropoxy)ethoxy]ethyl hydrogen carbonate.

Molecular Properties

Compound Name2-[2-(2-pentoxypropoxy)ethoxy]ethyl hydrogen carbonate
PubChem CID19862043
Molecular FormulaC13H26O6
Molecular Weight278.34 g/mol
Exact Mass278.17
IUPAC Name2-[2-(2-pentoxypropoxy)ethoxy]ethyl hydrogen carbonate
SMILESCCCCCOC(C)COCCOCCOC(=O)O
InChIInChI=1S/C13H26O6/c1-3-4-5-6-18-12(2)11-17-8-7-16-9-10-19-13(14)15/h12H,3-11H2,1-2H3,(H,14,15)
InChIKeyLJLYPLPHFAGXGX-UHFFFAOYSA-N
XLogP2.31
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 2-[2-(2-pentoxypropoxy)ethoxy]ethyl hydrogen carbonate?
The IUPAC name of 2-[2-(2-pentoxypropoxy)ethoxy]ethyl hydrogen carbonate (CID 19862043) is 2-[2-(2-pentoxypropoxy)ethoxy]ethyl hydrogen carbonate.
What is the SMILES notation for 2-[2-(2-pentoxypropoxy)ethoxy]ethyl hydrogen carbonate?
The canonical SMILES for 2-[2-(2-pentoxypropoxy)ethoxy]ethyl hydrogen carbonate is CCCCCOC(C)COCCOCCOC(=O)O.
What is the InChIKey of 2-[2-(2-pentoxypropoxy)ethoxy]ethyl hydrogen carbonate?
The InChIKey is LJLYPLPHFAGXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O6/c1-3-4-5-6-18-12(2)11-17-8-7-16-9-10-19-13(14)15/h12H,3-11H2,1-2H3,(H,14,15).
What are the key properties of 2-[2-(2-pentoxypropoxy)ethoxy]ethyl hydrogen carbonate?
2-[2-(2-pentoxypropoxy)ethoxy]ethyl hydrogen carbonate has a molecular weight of 278.34 g/mol, XLogP of 2.31, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-pentoxypropoxy)ethoxy]ethyl hydrogen carbonate is sourced from PubChem (CID 19862043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).