tert-Butoxy

C4H9O — CID 3080593

IUPAC—
SMILESCC(C)(C)[O]
InChIInChI=1S/C4H9O/c1-4(2,3)5/h1-3H3
InChIKeyZLRFPQPVXRIBCQ-UHFFFAOYSA-N
MW73.11 g/mol
LogP1.22
Rot. Bonds

About tert-Butoxy

tert-Butoxy (PubChem CID 3080593) has the molecular formula C4H9O and a molecular weight of 73.11 g/mol.

Molecular Properties

Compound Nametert-Butoxy
PubChem CID3080593
Molecular FormulaC4H9O
Molecular Weight73.11 g/mol
Exact Mass73.07
IUPAC Name—
SMILESCC(C)(C)[O]
InChIInChI=1S/C4H9O/c1-4(2,3)5/h1-3H3
InChIKeyZLRFPQPVXRIBCQ-UHFFFAOYSA-N
XLogP1.22
TPSA19.90 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50073.11
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of tert-Butoxy?
The IUPAC name of tert-Butoxy (CID 3080593) is not available.
What is the SMILES notation for tert-Butoxy?
The canonical SMILES for tert-Butoxy is CC(C)(C)[O].
What is the InChIKey of tert-Butoxy?
The InChIKey is ZLRFPQPVXRIBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9O/c1-4(2,3)5/h1-3H3.
What are the key properties of tert-Butoxy?
tert-Butoxy has a molecular weight of 73.11 g/mol, XLogP of 1.22, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-Butoxy is sourced from PubChem (CID 3080593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).