tert-butyl N-(8-hydroxyoctyl)carbamate

C13H27NO3 — CID 10332121

IUPACtert-butyl N-(8-hydroxyoctyl)carbamate
SMILESCC(C)(C)OC(=O)NCCCCCCCCO
InChIInChI=1S/C13H27NO3/c1-13(2,3)17-12(16)14-10-8-6-4-5-7-9-11-15/h15H,4-11H2,1-3H3,(H,14,16)
InChIKeyZXNLQLJANDBXLE-UHFFFAOYSA-N
MW245.36 g/mol
LogP2.84
Rot. Bonds8

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

tert-butyl N-(8-hydroxyoctyl)carbamate (PubChem CID 10332121) has the molecular formula C13H27NO3 and a molecular weight of 245.36 g/mol. Its IUPAC name is tert-butyl N-(8-hydroxyoctyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(8-hydroxyoctyl)carbamate
PubChem CID10332121
Molecular FormulaC13H27NO3
Molecular Weight245.36 g/mol
Exact Mass245.20
IUPAC Nametert-butyl N-(8-hydroxyoctyl)carbamate
SMILESCC(C)(C)OC(=O)NCCCCCCCCO
InChIInChI=1S/C13H27NO3/c1-13(2,3)17-12(16)14-10-8-6-4-5-7-9-11-15/h15H,4-11H2,1-3H3,(H,14,16)
InChIKeyZXNLQLJANDBXLE-UHFFFAOYSA-N
XLogP2.84
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.36
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl N-(8-hydroxyoctyl)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-(8-hydroxyoctyl)carbamate?
The IUPAC name of tert-butyl N-(8-hydroxyoctyl)carbamate (CID 10332121) is tert-butyl N-(8-hydroxyoctyl)carbamate.
What is the SMILES notation for tert-butyl N-(8-hydroxyoctyl)carbamate?
The canonical SMILES for tert-butyl N-(8-hydroxyoctyl)carbamate is CC(C)(C)OC(=O)NCCCCCCCCO.
What is the InChIKey of tert-butyl N-(8-hydroxyoctyl)carbamate?
The InChIKey is ZXNLQLJANDBXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3/c1-13(2,3)17-12(16)14-10-8-6-4-5-7-9-11-15/h15H,4-11H2,1-3H3,(H,14,16).
What are the key properties of tert-butyl N-(8-hydroxyoctyl)carbamate?
tert-butyl N-(8-hydroxyoctyl)carbamate has a molecular weight of 245.36 g/mol, XLogP of 2.84, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(8-hydroxyoctyl)carbamate is sourced from PubChem (CID 10332121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).