tert-butyl N-(2,5-dichloropentyl)carbamate

C10H19Cl2NO2 — CID 86088783

IUPACtert-butyl N-(2,5-dichloropentyl)carbamate
SMILESCC(C)(C)OC(=O)NCC(Cl)CCCCl
InChIInChI=1S/C10H19Cl2NO2/c1-10(2,3)15-9(14)13-7-8(12)5-4-6-11/h8H,4-7H2,1-3H3,(H,13,14)
InChIKeyASHOGAMAPGRXHX-UHFFFAOYSA-N
MW256.17 g/mol
LogP3.14
Rot. Bonds5

About tert-butyl N-(2,5-dichloropentyl)carbamate

tert-butyl N-(2,5-dichloropentyl)carbamate (PubChem CID 86088783) has the molecular formula C10H19Cl2NO2 and a molecular weight of 256.17 g/mol. Its IUPAC name is tert-butyl N-(2,5-dichloropentyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2,5-dichloropentyl)carbamate
PubChem CID86088783
Molecular FormulaC10H19Cl2NO2
Molecular Weight256.17 g/mol
Exact Mass255.08
IUPAC Nametert-butyl N-(2,5-dichloropentyl)carbamate
SMILESCC(C)(C)OC(=O)NCC(Cl)CCCCl
InChIInChI=1S/C10H19Cl2NO2/c1-10(2,3)15-9(14)13-7-8(12)5-4-6-11/h8H,4-7H2,1-3H3,(H,13,14)
InChIKeyASHOGAMAPGRXHX-UHFFFAOYSA-N
XLogP3.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.17
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2,5-dichloropentyl)carbamate?
The IUPAC name of tert-butyl N-(2,5-dichloropentyl)carbamate (CID 86088783) is tert-butyl N-(2,5-dichloropentyl)carbamate.
What is the SMILES notation for tert-butyl N-(2,5-dichloropentyl)carbamate?
The canonical SMILES for tert-butyl N-(2,5-dichloropentyl)carbamate is CC(C)(C)OC(=O)NCC(Cl)CCCCl.
What is the InChIKey of tert-butyl N-(2,5-dichloropentyl)carbamate?
The InChIKey is ASHOGAMAPGRXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19Cl2NO2/c1-10(2,3)15-9(14)13-7-8(12)5-4-6-11/h8H,4-7H2,1-3H3,(H,13,14).
What are the key properties of tert-butyl N-(2,5-dichloropentyl)carbamate?
tert-butyl N-(2,5-dichloropentyl)carbamate has a molecular weight of 256.17 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2,5-dichloropentyl)carbamate is sourced from PubChem (CID 86088783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).