(1-deuterio-2-methylpropan-2-yl) formate

C5H10O2 — CID 22837964

IUPAC(1-deuterio-2-methylpropan-2-yl) formate
SMILES[2H]CC(C)(C)OC=O
InChIInChI=1S/C5H10O2/c1-5(2,3)7-4-6/h4H,1-3H3/i1D
InChIKeyRUPAXCPQAAOIPB-MICDWDOJSA-N
MW103.14 g/mol
LogP0.96
Rot. Bonds1

About (1-deuterio-2-methylpropan-2-yl) formate

(1-deuterio-2-methylpropan-2-yl) formate (PubChem CID 22837964) has the molecular formula C5H10O2 and a molecular weight of 103.14 g/mol. Its IUPAC name is (1-deuterio-2-methylpropan-2-yl) formate.

Molecular Properties

Compound Name(1-deuterio-2-methylpropan-2-yl) formate
PubChem CID22837964
Molecular FormulaC5H10O2
Molecular Weight103.14 g/mol
Exact Mass103.07
IUPAC Name(1-deuterio-2-methylpropan-2-yl) formate
SMILES[2H]CC(C)(C)OC=O
InChIInChI=1S/C5H10O2/c1-5(2,3)7-4-6/h4H,1-3H3/i1D
InChIKeyRUPAXCPQAAOIPB-MICDWDOJSA-N
XLogP0.96
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 ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-Butyl Formate
CID 61207
tert-Amyl formate
CID 522596
1-Ethyl-1-methylpropyl methanoate
CID 53730296
2-(Formylperoxy)-2-methylpropane
CID 21677779
Tertiary hexyl formate
CID 18467596
t-Butylperoxy formate
CID 22271779
CID 57419513
CID 57419513
(1-Fluoro-2-methylpropan-2-yl) formate
CID 89998673
(1,1-Difluoro-2-methylpropan-2-yl) formate
CID 143358524
3-Methoxy-3-methylbutyl formate
CID 44602851
2-[(2-Methylpropan-2-yl)oxy]ethyl formate
CID 13813633
Tert-butyl formate;hydron
CID 19009130

Frequently Asked Questions

What is the IUPAC name of (1-deuterio-2-methylpropan-2-yl) formate?
The IUPAC name of (1-deuterio-2-methylpropan-2-yl) formate (CID 22837964) is (1-deuterio-2-methylpropan-2-yl) formate.
What is the SMILES notation for (1-deuterio-2-methylpropan-2-yl) formate?
The canonical SMILES for (1-deuterio-2-methylpropan-2-yl) formate is [2H]CC(C)(C)OC=O.
What is the InChIKey of (1-deuterio-2-methylpropan-2-yl) formate?
The InChIKey is RUPAXCPQAAOIPB-MICDWDOJSA-N. The full InChI is InChI=1S/C5H10O2/c1-5(2,3)7-4-6/h4H,1-3H3/i1D.
What are the key properties of (1-deuterio-2-methylpropan-2-yl) formate?
(1-deuterio-2-methylpropan-2-yl) formate has a molecular weight of 103.14 g/mol, XLogP of 0.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-deuterio-2-methylpropan-2-yl) formate is sourced from PubChem (CID 22837964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).