tert-butyl N-(6-oxohexyl)carbamate

C11H21NO3 — CID 10536636

IUPACtert-butyl N-(6-oxohexyl)carbamate
SMILESCC(C)(C)OC(=O)NCCCCCC=O
InChIInChI=1S/C11H21NO3/c1-11(2,3)15-10(14)12-8-6-4-5-7-9-13/h9H,4-8H2,1-3H3,(H,12,14)
InChIKeyVLXBTPVTHZTXBN-UHFFFAOYSA-N
MW215.29 g/mol
LogP2.27
Rot. Bonds6

About tert-butyl N-(6-oxohexyl)carbamate

tert-butyl N-(6-oxohexyl)carbamate (PubChem CID 10536636) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is tert-butyl N-(6-oxohexyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(6-oxohexyl)carbamate
PubChem CID10536636
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Nametert-butyl N-(6-oxohexyl)carbamate
SMILESCC(C)(C)OC(=O)NCCCCCC=O
InChIInChI=1S/C11H21NO3/c1-11(2,3)15-10(14)12-8-6-4-5-7-9-13/h9H,4-8H2,1-3H3,(H,12,14)
InChIKeyVLXBTPVTHZTXBN-UHFFFAOYSA-N
XLogP2.27
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl N-(6-oxohexyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(6-oxohexyl)carbamate?
The IUPAC name of tert-butyl N-(6-oxohexyl)carbamate (CID 10536636) is tert-butyl N-(6-oxohexyl)carbamate.
What is the SMILES notation for tert-butyl N-(6-oxohexyl)carbamate?
The canonical SMILES for tert-butyl N-(6-oxohexyl)carbamate is CC(C)(C)OC(=O)NCCCCCC=O.
What is the InChIKey of tert-butyl N-(6-oxohexyl)carbamate?
The InChIKey is VLXBTPVTHZTXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-11(2,3)15-10(14)12-8-6-4-5-7-9-13/h9H,4-8H2,1-3H3,(H,12,14).
What are the key properties of tert-butyl N-(6-oxohexyl)carbamate?
tert-butyl N-(6-oxohexyl)carbamate has a molecular weight of 215.29 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(6-oxohexyl)carbamate is sourced from PubChem (CID 10536636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).