tert-butyl N-[(E)-8-methoxyoct-5-en-3-yl]carbamate

C14H27NO3 — CID 169196292

IUPACtert-butyl N-[(E)-8-methoxyoct-5-en-3-yl]carbamate
SMILESCCC(C/C=C/CCOC)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H27NO3/c1-6-12(10-8-7-9-11-17-5)15-13(16)18-14(2,3)4/h7-8,12H,6,9-11H2,1-5H3,(H,15,16)/b8-7+
InChIKeyHIJOFCVZVLCQRX-BQYQJAHWSA-N
MW257.37 g/mol
LogP3.27
Rot. Bonds7

About tert-butyl N-[(E)-8-methoxyoct-5-en-3-yl]carbamate

tert-butyl N-[(E)-8-methoxyoct-5-en-3-yl]carbamate (PubChem CID 169196292) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is tert-butyl N-[(E)-8-methoxyoct-5-en-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(E)-8-methoxyoct-5-en-3-yl]carbamate
PubChem CID169196292
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Nametert-butyl N-[(E)-8-methoxyoct-5-en-3-yl]carbamate
SMILESCCC(C/C=C/CCOC)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H27NO3/c1-6-12(10-8-7-9-11-17-5)15-13(16)18-14(2,3)4/h7-8,12H,6,9-11H2,1-5H3,(H,15,16)/b8-7+
InChIKeyHIJOFCVZVLCQRX-BQYQJAHWSA-N
XLogP3.27
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 53.27
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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Related Compounds

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(S,E)-tert-Butyl 8-hydroxy-2-methyloct-5-en-4-ylcarbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(E)-8-methoxyoct-5-en-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(E)-8-methoxyoct-5-en-3-yl]carbamate (CID 169196292) is tert-butyl N-[(E)-8-methoxyoct-5-en-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(E)-8-methoxyoct-5-en-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(E)-8-methoxyoct-5-en-3-yl]carbamate is CCC(C/C=C/CCOC)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(E)-8-methoxyoct-5-en-3-yl]carbamate?
The InChIKey is HIJOFCVZVLCQRX-BQYQJAHWSA-N. The full InChI is InChI=1S/C14H27NO3/c1-6-12(10-8-7-9-11-17-5)15-13(16)18-14(2,3)4/h7-8,12H,6,9-11H2,1-5H3,(H,15,16)/b8-7+.
What are the key properties of tert-butyl N-[(E)-8-methoxyoct-5-en-3-yl]carbamate?
tert-butyl N-[(E)-8-methoxyoct-5-en-3-yl]carbamate has a molecular weight of 257.37 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(E)-8-methoxyoct-5-en-3-yl]carbamate is sourced from PubChem (CID 169196292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).