tert-butyl N-(5-oxohexyl)carbamate

C11H21NO3 — CID 14929049

IUPACtert-butyl N-(5-oxohexyl)carbamate
SMILESCC(=O)CCCCNC(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO3/c1-9(13)7-5-6-8-12-10(14)15-11(2,3)4/h5-8H2,1-4H3,(H,12,14)
InChIKeyYSBSLGMWGAIEEA-UHFFFAOYSA-N
MW215.29 g/mol
LogP2.27
Rot. Bonds5

About tert-butyl N-(5-oxohexyl)carbamate

tert-butyl N-(5-oxohexyl)carbamate (PubChem CID 14929049) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is tert-butyl N-(5-oxohexyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(5-oxohexyl)carbamate
PubChem CID14929049
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Nametert-butyl N-(5-oxohexyl)carbamate
SMILESCC(=O)CCCCNC(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO3/c1-9(13)7-5-6-8-12-10(14)15-11(2,3)4/h5-8H2,1-4H3,(H,12,14)
InChIKeyYSBSLGMWGAIEEA-UHFFFAOYSA-N
XLogP2.27
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-(4-oxocyclohexyl)carbamate
CID 1512535
N-BOC-1,6-diaminohexane
CID 2733170
tert-butyl N-(2-oxocyclohexyl)carbamate
CID 5075026
tert-butyl N-(3-oxobutyl)carbamate
CID 12111481
(3-Oxo-cyclohexyl)-carbamic acid tert-butyl ester
CID 44228975
tert-butyl N-(3-oxopentyl)carbamate
CID 89229060
tert-butyl N-((1R)-2-oxocyclopentyl)carbamate
CID 91757722
tert-butyl N-(2-oxocyclopentyl)carbamate
CID 357962
tert-butyl N-((1S)-2-oxocyclopentyl)carbamate
CID 10397865
5-(Boc-amino)-pentanal
CID 13417361
tert-butyl N-((3-oxocyclobutyl)methyl)carbamate
CID 19794273
4-(Aminomethyl)cyclohexanone, N-BOC protected
CID 40424027

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-oxohexyl)carbamate?
The IUPAC name of tert-butyl N-(5-oxohexyl)carbamate (CID 14929049) is tert-butyl N-(5-oxohexyl)carbamate.
What is the SMILES notation for tert-butyl N-(5-oxohexyl)carbamate?
The canonical SMILES for tert-butyl N-(5-oxohexyl)carbamate is CC(=O)CCCCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(5-oxohexyl)carbamate?
The InChIKey is YSBSLGMWGAIEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-9(13)7-5-6-8-12-10(14)15-11(2,3)4/h5-8H2,1-4H3,(H,12,14).
What are the key properties of tert-butyl N-(5-oxohexyl)carbamate?
tert-butyl N-(5-oxohexyl)carbamate has a molecular weight of 215.29 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-oxohexyl)carbamate is sourced from PubChem (CID 14929049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).