tert-butyl formate;hydron

C5H11O2+ — CID 19009130

IUPACtert-butyl formate;hydron
SMILESCC(C)(C)OC=O.[H+]
InChIInChI=1S/C5H10O2/c1-5(2,3)7-4-6/h4H,1-3H3/p+1
InChIKeyRUPAXCPQAAOIPB-UHFFFAOYSA-O
MW103.14 g/mol
LogP1.07
Rot. Bonds1

About tert-butyl formate;hydron

tert-butyl formate;hydron (PubChem CID 19009130) has the molecular formula C5H11O2+ and a molecular weight of 103.14 g/mol. Its IUPAC name is tert-butyl formate;hydron.

Molecular Properties

Compound Nametert-butyl formate;hydron
PubChem CID19009130
Molecular FormulaC5H11O2+
Molecular Weight103.14 g/mol
Exact Mass103.08
IUPAC Nametert-butyl formate;hydron
SMILESCC(C)(C)OC=O.[H+]
InChIInChI=1S/C5H10O2/c1-5(2,3)7-4-6/h4H,1-3H3/p+1
InChIKeyRUPAXCPQAAOIPB-UHFFFAOYSA-O
XLogP1.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.14
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl formate;hydron?
The IUPAC name of tert-butyl formate;hydron (CID 19009130) is tert-butyl formate;hydron.
What is the SMILES notation for tert-butyl formate;hydron?
The canonical SMILES for tert-butyl formate;hydron is CC(C)(C)OC=O.[H+].
What is the InChIKey of tert-butyl formate;hydron?
The InChIKey is RUPAXCPQAAOIPB-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H10O2/c1-5(2,3)7-4-6/h4H,1-3H3/p+1.
What are the key properties of tert-butyl formate;hydron?
tert-butyl formate;hydron has a molecular weight of 103.14 g/mol, XLogP of 1.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl formate;hydron is sourced from PubChem (CID 19009130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).