tert-butyl N-(6-hydroxyhexyl)carbamate

C11H23NO3 — CID 4146612

IUPACtert-butyl N-(6-hydroxyhexyl)carbamate
SMILESCC(C)(C)OC(=O)NCCCCCCO
InChIInChI=1S/C11H23NO3/c1-11(2,3)15-10(14)12-8-6-4-5-7-9-13/h13H,4-9H2,1-3H3,(H,12,14)
InChIKeyBDLPJHZUTLGFON-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.06
Rot. Bonds6

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

tert-butyl N-(6-hydroxyhexyl)carbamate (PubChem CID 4146612) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is tert-butyl N-(6-hydroxyhexyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(6-hydroxyhexyl)carbamate
PubChem CID4146612
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Nametert-butyl N-(6-hydroxyhexyl)carbamate
SMILESCC(C)(C)OC(=O)NCCCCCCO
InChIInChI=1S/C11H23NO3/c1-11(2,3)15-10(14)12-8-6-4-5-7-9-13/h13H,4-9H2,1-3H3,(H,12,14)
InChIKeyBDLPJHZUTLGFON-UHFFFAOYSA-N
XLogP2.06
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(6-hydroxyhexyl)carbamate?
The IUPAC name of tert-butyl N-(6-hydroxyhexyl)carbamate (CID 4146612) is tert-butyl N-(6-hydroxyhexyl)carbamate.
What is the SMILES notation for tert-butyl N-(6-hydroxyhexyl)carbamate?
The canonical SMILES for tert-butyl N-(6-hydroxyhexyl)carbamate is CC(C)(C)OC(=O)NCCCCCCO.
What is the InChIKey of tert-butyl N-(6-hydroxyhexyl)carbamate?
The InChIKey is BDLPJHZUTLGFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-11(2,3)15-10(14)12-8-6-4-5-7-9-13/h13H,4-9H2,1-3H3,(H,12,14).
What are the key properties of tert-butyl N-(6-hydroxyhexyl)carbamate?
tert-butyl N-(6-hydroxyhexyl)carbamate has a molecular weight of 217.31 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(6-hydroxyhexyl)carbamate is sourced from PubChem (CID 4146612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).