tert-butyl N-(2-hex-5-en-3-yloxyethyl)carbamate

C13H25NO3 — CID 170106873

IUPACtert-butyl N-(2-hex-5-en-3-yloxyethyl)carbamate
SMILESC=CCC(CC)OCCNC(=O)OC(C)(C)C
InChIInChI=1S/C13H25NO3/c1-6-8-11(7-2)16-10-9-14-12(15)17-13(3,4)5/h6,11H,1,7-10H2,2-5H3,(H,14,15)
InChIKeyALMKWBDXZYGDSF-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.88
Rot. Bonds7

About tert-butyl N-(2-hex-5-en-3-yloxyethyl)carbamate

tert-butyl N-(2-hex-5-en-3-yloxyethyl)carbamate (PubChem CID 170106873) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is tert-butyl N-(2-hex-5-en-3-yloxyethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-hex-5-en-3-yloxyethyl)carbamate
PubChem CID170106873
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Nametert-butyl N-(2-hex-5-en-3-yloxyethyl)carbamate
SMILESC=CCC(CC)OCCNC(=O)OC(C)(C)C
InChIInChI=1S/C13H25NO3/c1-6-8-11(7-2)16-10-9-14-12(15)17-13(3,4)5/h6,11H,1,7-10H2,2-5H3,(H,14,15)
InChIKeyALMKWBDXZYGDSF-UHFFFAOYSA-N
XLogP2.88
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-hex-5-en-3-yloxyethyl)carbamate?
The IUPAC name of tert-butyl N-(2-hex-5-en-3-yloxyethyl)carbamate (CID 170106873) is tert-butyl N-(2-hex-5-en-3-yloxyethyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-hex-5-en-3-yloxyethyl)carbamate?
The canonical SMILES for tert-butyl N-(2-hex-5-en-3-yloxyethyl)carbamate is C=CCC(CC)OCCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(2-hex-5-en-3-yloxyethyl)carbamate?
The InChIKey is ALMKWBDXZYGDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-6-8-11(7-2)16-10-9-14-12(15)17-13(3,4)5/h6,11H,1,7-10H2,2-5H3,(H,14,15).
What are the key properties of tert-butyl N-(2-hex-5-en-3-yloxyethyl)carbamate?
tert-butyl N-(2-hex-5-en-3-yloxyethyl)carbamate has a molecular weight of 243.35 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-hex-5-en-3-yloxyethyl)carbamate is sourced from PubChem (CID 170106873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).