tert-butyl formate;1,2-dimethoxyethane

C9H20O4 — CID 174865662

IUPACtert-butyl formate;1,2-dimethoxyethane
SMILESCC(C)(C)OC=O.COCCOC
InChIInChI=1S/C5H10O2.C4H10O2/c1-5(2,3)7-4-6;1-5-3-4-6-2/h4H,1-3H3;3-4H2,1-2H3
InChIKeyOIRQYQQUMPHZGD-UHFFFAOYSA-N
MW192.25 g/mol
LogP1.24
Rot. Bonds4

About tert-butyl formate;1,2-dimethoxyethane

tert-butyl formate;1,2-dimethoxyethane (PubChem CID 174865662) has the molecular formula C9H20O4 and a molecular weight of 192.25 g/mol. Its IUPAC name is tert-butyl formate;1,2-dimethoxyethane.

Molecular Properties

Compound Nametert-butyl formate;1,2-dimethoxyethane
PubChem CID174865662
Molecular FormulaC9H20O4
Molecular Weight192.25 g/mol
Exact Mass192.14
IUPAC Nametert-butyl formate;1,2-dimethoxyethane
SMILESCC(C)(C)OC=O.COCCOC
InChIInChI=1S/C5H10O2.C4H10O2/c1-5(2,3)7-4-6;1-5-3-4-6-2/h4H,1-3H3;3-4H2,1-2H3
InChIKeyOIRQYQQUMPHZGD-UHFFFAOYSA-N
XLogP1.24
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl formate;1,2-dimethoxyethane?
The IUPAC name of tert-butyl formate;1,2-dimethoxyethane (CID 174865662) is tert-butyl formate;1,2-dimethoxyethane.
What is the SMILES notation for tert-butyl formate;1,2-dimethoxyethane?
The canonical SMILES for tert-butyl formate;1,2-dimethoxyethane is CC(C)(C)OC=O.COCCOC.
What is the InChIKey of tert-butyl formate;1,2-dimethoxyethane?
The InChIKey is OIRQYQQUMPHZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2.C4H10O2/c1-5(2,3)7-4-6;1-5-3-4-6-2/h4H,1-3H3;3-4H2,1-2H3.
What are the key properties of tert-butyl formate;1,2-dimethoxyethane?
tert-butyl formate;1,2-dimethoxyethane has a molecular weight of 192.25 g/mol, XLogP of 1.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl formate;1,2-dimethoxyethane is sourced from PubChem (CID 174865662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).