tert-butyl N-octa-1,7-dien-4-ylcarbamate

C13H23NO2 — CID 11031531

IUPACtert-butyl N-octa-1,7-dien-4-ylcarbamate
SMILESC=CCCC(CC=C)NC(=O)OC(C)(C)C
InChIInChI=1S/C13H23NO2/c1-6-8-10-11(9-7-2)14-12(15)16-13(3,4)5/h6-7,11H,1-2,8-10H2,3-5H3,(H,14,15)
InChIKeyHOOOKVYWONMMCV-UHFFFAOYSA-N
MW225.33 g/mol
LogP3.42
Rot. Bonds6

About tert-butyl N-octa-1,7-dien-4-ylcarbamate

tert-butyl N-octa-1,7-dien-4-ylcarbamate (PubChem CID 11031531) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is tert-butyl N-octa-1,7-dien-4-ylcarbamate.

Molecular Properties

Compound Nametert-butyl N-octa-1,7-dien-4-ylcarbamate
PubChem CID11031531
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Nametert-butyl N-octa-1,7-dien-4-ylcarbamate
SMILESC=CCCC(CC=C)NC(=O)OC(C)(C)C
InChIInChI=1S/C13H23NO2/c1-6-8-10-11(9-7-2)14-12(15)16-13(3,4)5/h6-7,11H,1-2,8-10H2,3-5H3,(H,14,15)
InChIKeyHOOOKVYWONMMCV-UHFFFAOYSA-N
XLogP3.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-octa-1,7-dien-4-ylcarbamate?
The IUPAC name of tert-butyl N-octa-1,7-dien-4-ylcarbamate (CID 11031531) is tert-butyl N-octa-1,7-dien-4-ylcarbamate.
What is the SMILES notation for tert-butyl N-octa-1,7-dien-4-ylcarbamate?
The canonical SMILES for tert-butyl N-octa-1,7-dien-4-ylcarbamate is C=CCCC(CC=C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-octa-1,7-dien-4-ylcarbamate?
The InChIKey is HOOOKVYWONMMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-6-8-10-11(9-7-2)14-12(15)16-13(3,4)5/h6-7,11H,1-2,8-10H2,3-5H3,(H,14,15).
What are the key properties of tert-butyl N-octa-1,7-dien-4-ylcarbamate?
tert-butyl N-octa-1,7-dien-4-ylcarbamate has a molecular weight of 225.33 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-octa-1,7-dien-4-ylcarbamate is sourced from PubChem (CID 11031531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).