tert-butyl N-(4-hydroxybutyl)carbamoperoxoate

C9H19NO4 — CID 142641342

IUPACtert-butyl N-(4-hydroxybutyl)carbamoperoxoate
SMILESCC(C)(C)OOC(=O)NCCCCO
InChIInChI=1S/C9H19NO4/c1-9(2,3)14-13-8(12)10-6-4-5-7-11/h11H,4-7H2,1-3H3,(H,10,12)
InChIKeyRQCUCQWTIXKPCD-UHFFFAOYSA-N
MW205.25 g/mol
LogP1.22
Rot. Bonds5

About tert-butyl N-(4-hydroxybutyl)carbamoperoxoate

tert-butyl N-(4-hydroxybutyl)carbamoperoxoate (PubChem CID 142641342) has the molecular formula C9H19NO4 and a molecular weight of 205.25 g/mol. Its IUPAC name is tert-butyl N-(4-hydroxybutyl)carbamoperoxoate.

Molecular Properties

Compound Nametert-butyl N-(4-hydroxybutyl)carbamoperoxoate
PubChem CID142641342
Molecular FormulaC9H19NO4
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Nametert-butyl N-(4-hydroxybutyl)carbamoperoxoate
SMILESCC(C)(C)OOC(=O)NCCCCO
InChIInChI=1S/C9H19NO4/c1-9(2,3)14-13-8(12)10-6-4-5-7-11/h11H,4-7H2,1-3H3,(H,10,12)
InChIKeyRQCUCQWTIXKPCD-UHFFFAOYSA-N
XLogP1.22
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

N-(4-hydroxybutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 106843199
2-methylpentan-2-yl N-(3-hydroxypropyl)carbamate
CID 155665020
4-hydroxybutyl N-[4-(4-hydroxybutoxycarbonylamino)butyl]carbamate
CID 175946939
tert-butyl N-(4-hydroxybutyl)-N-[3-[(2-methylpropan-2-yl)oxycarbonyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]propyl]carbamate
CID 11237430
tert-butyl N-[6-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexylamino]hexyl]carbamate
CID 15570048
tert-butyl N-[2-[4-hydroxybutyl(methyl)amino]ethyl]carbamate
CID 177165285
2,2,2-trifluoroethyl N-(6-hydroxyhexyl)carbamate
CID 103918683
tert-butyl N-(4-cyanobutyl)carbamate
CID 45091902
tert-butyl N-[4-(hydroxymethoxy)butyl]carbamate
CID 87889000
N-(4-hydroxybutyl)-2-methyl-2-(methylamino)propanamide
CID 106842052
tert-butyl N-[5-(methylamino)pentyl]carbamate
CID 87263201
tert-butyl N-pentylcarbamate;bis(pentane)
CID 171066640

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-hydroxybutyl)carbamoperoxoate?
The IUPAC name of tert-butyl N-(4-hydroxybutyl)carbamoperoxoate (CID 142641342) is tert-butyl N-(4-hydroxybutyl)carbamoperoxoate.
What is the SMILES notation for tert-butyl N-(4-hydroxybutyl)carbamoperoxoate?
The canonical SMILES for tert-butyl N-(4-hydroxybutyl)carbamoperoxoate is CC(C)(C)OOC(=O)NCCCCO.
What is the InChIKey of tert-butyl N-(4-hydroxybutyl)carbamoperoxoate?
The InChIKey is RQCUCQWTIXKPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4/c1-9(2,3)14-13-8(12)10-6-4-5-7-11/h11H,4-7H2,1-3H3,(H,10,12).
What are the key properties of tert-butyl N-(4-hydroxybutyl)carbamoperoxoate?
tert-butyl N-(4-hydroxybutyl)carbamoperoxoate has a molecular weight of 205.25 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-hydroxybutyl)carbamoperoxoate is sourced from PubChem (CID 142641342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).