2-(2-butoxyethoxy)ethyl hydrogen carbonate

C9H18O5 — CID 18964131

IUPAC2-(2-butoxyethoxy)ethyl hydrogen carbonate
SMILESCCCCOCCOCCOC(=O)O
InChIInChI=1S/C9H18O5/c1-2-3-4-12-5-6-13-7-8-14-9(10)11/h2-8H2,1H3,(H,10,11)
InChIKeyRGWZOKCZTGZGEN-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.51
Rot. Bonds9

About 2-(2-butoxyethoxy)ethyl hydrogen carbonate

2-(2-butoxyethoxy)ethyl hydrogen carbonate (PubChem CID 18964131) has the molecular formula C9H18O5 and a molecular weight of 206.24 g/mol. Its IUPAC name is 2-(2-butoxyethoxy)ethyl hydrogen carbonate.

Molecular Properties

Compound Name2-(2-butoxyethoxy)ethyl hydrogen carbonate
PubChem CID18964131
Molecular FormulaC9H18O5
Molecular Weight206.24 g/mol
Exact Mass206.12
IUPAC Name2-(2-butoxyethoxy)ethyl hydrogen carbonate
SMILESCCCCOCCOCCOC(=O)O
InChIInChI=1S/C9H18O5/c1-2-3-4-12-5-6-13-7-8-14-9(10)11/h2-8H2,1H3,(H,10,11)
InChIKeyRGWZOKCZTGZGEN-UHFFFAOYSA-N
XLogP1.51
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-butoxyethoxy)ethyl hydrogen carbonate?
The IUPAC name of 2-(2-butoxyethoxy)ethyl hydrogen carbonate (CID 18964131) is 2-(2-butoxyethoxy)ethyl hydrogen carbonate.
What is the SMILES notation for 2-(2-butoxyethoxy)ethyl hydrogen carbonate?
The canonical SMILES for 2-(2-butoxyethoxy)ethyl hydrogen carbonate is CCCCOCCOCCOC(=O)O.
What is the InChIKey of 2-(2-butoxyethoxy)ethyl hydrogen carbonate?
The InChIKey is RGWZOKCZTGZGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O5/c1-2-3-4-12-5-6-13-7-8-14-9(10)11/h2-8H2,1H3,(H,10,11).
What are the key properties of 2-(2-butoxyethoxy)ethyl hydrogen carbonate?
2-(2-butoxyethoxy)ethyl hydrogen carbonate has a molecular weight of 206.24 g/mol, XLogP of 1.51, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butoxyethoxy)ethyl hydrogen carbonate is sourced from PubChem (CID 18964131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).