oct-2-en-4-yl N-propan-2-ylcarbamate

C12H23NO2 — CID 123278450

IUPACoct-2-en-4-yl N-propan-2-ylcarbamate
SMILESCC=CC(CCCC)OC(=O)NC(C)C
InChIInChI=1S/C12H23NO2/c1-5-7-9-11(8-6-2)15-12(14)13-10(3)4/h6,8,10-11H,5,7,9H2,1-4H3,(H,13,14)
InChIKeyTZUQDLZYDQXJIS-UHFFFAOYSA-N
MW213.32 g/mol
LogP3.26
Rot. Bonds6

About oct-2-en-4-yl N-propan-2-ylcarbamate

oct-2-en-4-yl N-propan-2-ylcarbamate (PubChem CID 123278450) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is oct-2-en-4-yl N-propan-2-ylcarbamate.

Molecular Properties

Compound Nameoct-2-en-4-yl N-propan-2-ylcarbamate
PubChem CID123278450
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Nameoct-2-en-4-yl N-propan-2-ylcarbamate
SMILESCC=CC(CCCC)OC(=O)NC(C)C
InChIInChI=1S/C12H23NO2/c1-5-7-9-11(8-6-2)15-12(14)13-10(3)4/h6,8,10-11H,5,7,9H2,1-4H3,(H,13,14)
InChIKeyTZUQDLZYDQXJIS-UHFFFAOYSA-N
XLogP3.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 53.26
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 oct-2-en-4-yl N-propan-2-ylcarbamate?
The IUPAC name of oct-2-en-4-yl N-propan-2-ylcarbamate (CID 123278450) is oct-2-en-4-yl N-propan-2-ylcarbamate.
What is the SMILES notation for oct-2-en-4-yl N-propan-2-ylcarbamate?
The canonical SMILES for oct-2-en-4-yl N-propan-2-ylcarbamate is CC=CC(CCCC)OC(=O)NC(C)C.
What is the InChIKey of oct-2-en-4-yl N-propan-2-ylcarbamate?
The InChIKey is TZUQDLZYDQXJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-5-7-9-11(8-6-2)15-12(14)13-10(3)4/h6,8,10-11H,5,7,9H2,1-4H3,(H,13,14).
What are the key properties of oct-2-en-4-yl N-propan-2-ylcarbamate?
oct-2-en-4-yl N-propan-2-ylcarbamate has a molecular weight of 213.32 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oct-2-en-4-yl N-propan-2-ylcarbamate is sourced from PubChem (CID 123278450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).