tert-butyl [(E)-4-methylpent-2-enyl] carbonate

C11H20O3 — CID 101385228

IUPACtert-butyl [(E)-4-methylpent-2-enyl] carbonate
SMILESCC(C)/C=C/COC(=O)OC(C)(C)C
InChIInChI=1S/C11H20O3/c1-9(2)7-6-8-13-10(12)14-11(3,4)5/h6-7,9H,8H2,1-5H3/b7-6+
InChIKeyFIELPYJFDIPGQY-VOTSOKGWSA-N
MW200.28 g/mol
LogP3.15
Rot. Bonds3

About tert-butyl [(E)-4-methylpent-2-enyl] carbonate

tert-butyl [(E)-4-methylpent-2-enyl] carbonate (PubChem CID 101385228) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is tert-butyl [(E)-4-methylpent-2-enyl] carbonate.

Molecular Properties

Compound Nametert-butyl [(E)-4-methylpent-2-enyl] carbonate
PubChem CID101385228
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Nametert-butyl [(E)-4-methylpent-2-enyl] carbonate
SMILESCC(C)/C=C/COC(=O)OC(C)(C)C
InChIInChI=1S/C11H20O3/c1-9(2)7-6-8-13-10(12)14-11(3,4)5/h6-7,9H,8H2,1-5H3/b7-6+
InChIKeyFIELPYJFDIPGQY-VOTSOKGWSA-N
XLogP3.15
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl [(E)-4-methylpent-2-enyl] carbonate
CID 101429850
tert-butyl [(Z,4R)-4-hydroxy-4-phenylbut-2-enyl] carbonate
CID 11369081
tert-butyl [(Z)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl] carbonate
CID 59981762
tert-butyl (Z)-8-methylnon-6-enoate
CID 133055756
tert-butyl 3-(3,5-dimethylphenyl)prop-2-enyl carbonate
CID 151831781
[(E,4S)-5-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]hex-2-enyl] acetate
CID 10333402
tert-butyl [(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl] carbonate
CID 25023111
[(E,5R,7R)-5-hydroxy-7-[(2-methylpropan-2-yl)oxycarbonylamino]oct-2-enyl] methyl carbonate
CID 25231925
tert-butyl N-[(2E)-6-methylhepta-2,4-dienyl]carbamate
CID 135038852
tert-butyl 3-[(2-methylpropan-2-yl)oxycarbonyloxy]propyl carbonate
CID 87663163
(2-methylpropan-2-yl)oxycarbonyl 3-amino-2-methylpropanoate
CID 174535186
(2-methylpropan-2-yl)oxycarbonyl (2S)-2-aminopropanoate
CID 54386102

Frequently Asked Questions

What is the IUPAC name of tert-butyl [(E)-4-methylpent-2-enyl] carbonate?
The IUPAC name of tert-butyl [(E)-4-methylpent-2-enyl] carbonate (CID 101385228) is tert-butyl [(E)-4-methylpent-2-enyl] carbonate.
What is the SMILES notation for tert-butyl [(E)-4-methylpent-2-enyl] carbonate?
The canonical SMILES for tert-butyl [(E)-4-methylpent-2-enyl] carbonate is CC(C)/C=C/COC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl [(E)-4-methylpent-2-enyl] carbonate?
The InChIKey is FIELPYJFDIPGQY-VOTSOKGWSA-N. The full InChI is InChI=1S/C11H20O3/c1-9(2)7-6-8-13-10(12)14-11(3,4)5/h6-7,9H,8H2,1-5H3/b7-6+.
What are the key properties of tert-butyl [(E)-4-methylpent-2-enyl] carbonate?
tert-butyl [(E)-4-methylpent-2-enyl] carbonate has a molecular weight of 200.28 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl [(E)-4-methylpent-2-enyl] carbonate is sourced from PubChem (CID 101385228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).