tert-butyl [(E)-hex-2-enyl] carbonate

C11H20O3 — CID 11579312

IUPACtert-butyl [(E)-hex-2-enyl] carbonate
SMILESCCC/C=C/COC(=O)OC(C)(C)C
InChIInChI=1S/C11H20O3/c1-5-6-7-8-9-13-10(12)14-11(2,3)4/h7-8H,5-6,9H2,1-4H3/b8-7+
InChIKeyWXPVCLUAOCUDAJ-BQYQJAHWSA-N
MW200.28 g/mol
LogP3.29
Rot. Bonds4

About tert-butyl [(E)-hex-2-enyl] carbonate

tert-butyl [(E)-hex-2-enyl] carbonate (PubChem CID 11579312) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is tert-butyl [(E)-hex-2-enyl] carbonate.

Molecular Properties

Compound Nametert-butyl [(E)-hex-2-enyl] carbonate
PubChem CID11579312
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Nametert-butyl [(E)-hex-2-enyl] carbonate
SMILESCCC/C=C/COC(=O)OC(C)(C)C
InChIInChI=1S/C11H20O3/c1-5-6-7-8-9-13-10(12)14-11(2,3)4/h7-8H,5-6,9H2,1-4H3/b8-7+
InChIKeyWXPVCLUAOCUDAJ-BQYQJAHWSA-N
XLogP3.29
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 [(E)-hex-2-enyl] carbonate?
The IUPAC name of tert-butyl [(E)-hex-2-enyl] carbonate (CID 11579312) is tert-butyl [(E)-hex-2-enyl] carbonate.
What is the SMILES notation for tert-butyl [(E)-hex-2-enyl] carbonate?
The canonical SMILES for tert-butyl [(E)-hex-2-enyl] carbonate is CCC/C=C/COC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl [(E)-hex-2-enyl] carbonate?
The InChIKey is WXPVCLUAOCUDAJ-BQYQJAHWSA-N. The full InChI is InChI=1S/C11H20O3/c1-5-6-7-8-9-13-10(12)14-11(2,3)4/h7-8H,5-6,9H2,1-4H3/b8-7+.
What are the key properties of tert-butyl [(E)-hex-2-enyl] carbonate?
tert-butyl [(E)-hex-2-enyl] carbonate has a molecular weight of 200.28 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl [(E)-hex-2-enyl] carbonate is sourced from PubChem (CID 11579312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).