tert-butyl N-(8-bromooctyl)carbamate

C13H26BrNO2 — CID 10357893

IUPACtert-butyl N-(8-bromooctyl)carbamate
SMILESCC(C)(C)OC(=O)NCCCCCCCCBr
InChIInChI=1S/C13H26BrNO2/c1-13(2,3)17-12(16)15-11-9-7-5-4-6-8-10-14/h4-11H2,1-3H3,(H,15,16)
InChIKeyXBDSVMQPKSQVMH-UHFFFAOYSA-N
MW308.26 g/mol
LogP4.25
Rot. Bonds8

About tert-butyl N-(8-bromooctyl)carbamate

tert-butyl N-(8-bromooctyl)carbamate (PubChem CID 10357893) has the molecular formula C13H26BrNO2 and a molecular weight of 308.26 g/mol. Its IUPAC name is tert-butyl N-(8-bromooctyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(8-bromooctyl)carbamate
PubChem CID10357893
Molecular FormulaC13H26BrNO2
Molecular Weight308.26 g/mol
Exact Mass307.11
IUPAC Nametert-butyl N-(8-bromooctyl)carbamate
SMILESCC(C)(C)OC(=O)NCCCCCCCCBr
InChIInChI=1S/C13H26BrNO2/c1-13(2,3)17-12(16)15-11-9-7-5-4-6-8-10-14/h4-11H2,1-3H3,(H,15,16)
InChIKeyXBDSVMQPKSQVMH-UHFFFAOYSA-N
XLogP4.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.26
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(8-bromooctyl)carbamate?
The IUPAC name of tert-butyl N-(8-bromooctyl)carbamate (CID 10357893) is tert-butyl N-(8-bromooctyl)carbamate.
What is the SMILES notation for tert-butyl N-(8-bromooctyl)carbamate?
The canonical SMILES for tert-butyl N-(8-bromooctyl)carbamate is CC(C)(C)OC(=O)NCCCCCCCCBr.
What is the InChIKey of tert-butyl N-(8-bromooctyl)carbamate?
The InChIKey is XBDSVMQPKSQVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26BrNO2/c1-13(2,3)17-12(16)15-11-9-7-5-4-6-8-10-14/h4-11H2,1-3H3,(H,15,16).
What are the key properties of tert-butyl N-(8-bromooctyl)carbamate?
tert-butyl N-(8-bromooctyl)carbamate has a molecular weight of 308.26 g/mol, XLogP of 4.25, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(8-bromooctyl)carbamate is sourced from PubChem (CID 10357893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).