(2-ethoxy-1-methoxypropan-2-yl) hydrogen carbonate

C7H14O5 — CID 154385103

IUPAC(2-ethoxy-1-methoxypropan-2-yl) hydrogen carbonate
SMILESCCOC(C)(COC)OC(=O)O
InChIInChI=1S/C7H14O5/c1-4-11-7(2,5-10-3)12-6(8)9/h4-5H2,1-3H3,(H,8,9)
InChIKeyAXPVRGHIVJQXRP-UHFFFAOYSA-N
MW178.18 g/mol
LogP1.08
Rot. Bonds5

About (2-ethoxy-1-methoxypropan-2-yl) hydrogen carbonate

(2-ethoxy-1-methoxypropan-2-yl) hydrogen carbonate (PubChem CID 154385103) has the molecular formula C7H14O5 and a molecular weight of 178.18 g/mol. Its IUPAC name is (2-ethoxy-1-methoxypropan-2-yl) hydrogen carbonate.

Molecular Properties

Compound Name(2-ethoxy-1-methoxypropan-2-yl) hydrogen carbonate
PubChem CID154385103
Molecular FormulaC7H14O5
Molecular Weight178.18 g/mol
Exact Mass178.08
IUPAC Name(2-ethoxy-1-methoxypropan-2-yl) hydrogen carbonate
SMILESCCOC(C)(COC)OC(=O)O
InChIInChI=1S/C7H14O5/c1-4-11-7(2,5-10-3)12-6(8)9/h4-5H2,1-3H3,(H,8,9)
InChIKeyAXPVRGHIVJQXRP-UHFFFAOYSA-N
XLogP1.08
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.18
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-ethoxy-1-methoxypropan-2-yl) hydrogen carbonate?
The IUPAC name of (2-ethoxy-1-methoxypropan-2-yl) hydrogen carbonate (CID 154385103) is (2-ethoxy-1-methoxypropan-2-yl) hydrogen carbonate.
What is the SMILES notation for (2-ethoxy-1-methoxypropan-2-yl) hydrogen carbonate?
The canonical SMILES for (2-ethoxy-1-methoxypropan-2-yl) hydrogen carbonate is CCOC(C)(COC)OC(=O)O.
What is the InChIKey of (2-ethoxy-1-methoxypropan-2-yl) hydrogen carbonate?
The InChIKey is AXPVRGHIVJQXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O5/c1-4-11-7(2,5-10-3)12-6(8)9/h4-5H2,1-3H3,(H,8,9).
What are the key properties of (2-ethoxy-1-methoxypropan-2-yl) hydrogen carbonate?
(2-ethoxy-1-methoxypropan-2-yl) hydrogen carbonate has a molecular weight of 178.18 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxy-1-methoxypropan-2-yl) hydrogen carbonate is sourced from PubChem (CID 154385103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).