tert-butyl N-nona-1,8-dien-5-ylcarbamate

C14H25NO2 — CID 42624686

IUPACtert-butyl N-nona-1,8-dien-5-ylcarbamate
SMILESC=CCCC(CCC=C)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H25NO2/c1-6-8-10-12(11-9-7-2)15-13(16)17-14(3,4)5/h6-7,12H,1-2,8-11H2,3-5H3,(H,15,16)
InChIKeyMZJOUNNOCUSRJL-UHFFFAOYSA-N
MW239.36 g/mol
LogP3.81
Rot. Bonds7

About tert-butyl N-nona-1,8-dien-5-ylcarbamate

tert-butyl N-nona-1,8-dien-5-ylcarbamate (PubChem CID 42624686) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is tert-butyl N-nona-1,8-dien-5-ylcarbamate.

Molecular Properties

Compound Nametert-butyl N-nona-1,8-dien-5-ylcarbamate
PubChem CID42624686
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Nametert-butyl N-nona-1,8-dien-5-ylcarbamate
SMILESC=CCCC(CCC=C)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H25NO2/c1-6-8-10-12(11-9-7-2)15-13(16)17-14(3,4)5/h6-7,12H,1-2,8-11H2,3-5H3,(H,15,16)
InChIKeyMZJOUNNOCUSRJL-UHFFFAOYSA-N
XLogP3.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Tert-butyl pent-4-EN-1-ylcarbamate
CID 12181732
10-N-Boc-amino-dec-1-ene
CID 2756765
Tert-butyl but-3-EN-1-ylcarbamate
CID 11263760
N-1-Boc-Amino-3-cyclopentene
CID 2756764
tert-Butyl cyclohex-3-enylcarbamate
CID 11063381
tert-butyl N-(3-methylidenecyclobutyl)carbamate
CID 28875369
rac-tert-butyl N-[(1R,2S)-2-ethenylcyclopropyl]carbamate
CID 54277191
tert-butyl N-(2-methylbut-3-en-1-yl)carbamate
CID 59650911
tert-Butyl (4-fluorocyclohex-3-en-1-yl)carbamate
CID 45092205
tert-Butyl cyclohex-2-en-1-ylcarbamate
CID 10012946
tert-butyl N-(2-aminopent-4-en-1-yl)carbamate
CID 130041824
Tert-butyl non-8-en-1-ylcarbamate
CID 5282584

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-nona-1,8-dien-5-ylcarbamate?
The IUPAC name of tert-butyl N-nona-1,8-dien-5-ylcarbamate (CID 42624686) is tert-butyl N-nona-1,8-dien-5-ylcarbamate.
What is the SMILES notation for tert-butyl N-nona-1,8-dien-5-ylcarbamate?
The canonical SMILES for tert-butyl N-nona-1,8-dien-5-ylcarbamate is C=CCCC(CCC=C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-nona-1,8-dien-5-ylcarbamate?
The InChIKey is MZJOUNNOCUSRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-6-8-10-12(11-9-7-2)15-13(16)17-14(3,4)5/h6-7,12H,1-2,8-11H2,3-5H3,(H,15,16).
What are the key properties of tert-butyl N-nona-1,8-dien-5-ylcarbamate?
tert-butyl N-nona-1,8-dien-5-ylcarbamate has a molecular weight of 239.36 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-nona-1,8-dien-5-ylcarbamate is sourced from PubChem (CID 42624686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).