tert-butyl [(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl] carbonate

C14H25BO5 — CID 25023111

IUPACtert-butyl [(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl] carbonate
SMILESCC(C)(C)OC(=O)OC/C=C/B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C14H25BO5/c1-12(2,3)18-11(16)17-10-8-9-15-19-13(4,5)14(6,7)20-15/h8-9H,10H2,1-7H3/b9-8+
InChIKeyFOQFJZPIPXTZLB-CMDGGOBGSA-N
MW284.16 g/mol
LogP3.13
Rot. Bonds3

About tert-butyl [(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl] carbonate

tert-butyl [(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl] carbonate (PubChem CID 25023111) has the molecular formula C14H25BO5 and a molecular weight of 284.16 g/mol. Its IUPAC name is tert-butyl [(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl] carbonate.

Molecular Properties

Compound Nametert-butyl [(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl] carbonate
PubChem CID25023111
Molecular FormulaC14H25BO5
Molecular Weight284.16 g/mol
Exact Mass284.18
IUPAC Nametert-butyl [(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl] carbonate
SMILESCC(C)(C)OC(=O)OC/C=C/B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C14H25BO5/c1-12(2,3)18-11(16)17-10-8-9-15-19-13(4,5)14(6,7)20-15/h8-9H,10H2,1-7H3/b9-8+
InChIKeyFOQFJZPIPXTZLB-CMDGGOBGSA-N
XLogP3.13
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.16
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[(E)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-5-enyl]carbamate
CID 155738497
tert-butyl [(E)-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]prop-2-enyl] carbonate
CID 154723296
tert-butyl-dimethyl-[(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enoxy]silane
CID 10968526
tert-butyl 4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]piperidine-1-carboxylate
CID 123586095
[(E)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-5-enyl] 2,2-dimethylpropanoate
CID 53304621
tert-butyl N-[2-[methyl-[(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]amino]propyl]carbamate
CID 174072947
[3,3-dimethyl-1-[2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enoxy]ethoxy]butan-2-yl] carbamate
CID 175221498
tert-butyl N-(2-oxoethyl)-N-[(E)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enyl]carbamate
CID 174072908
3-[(2-methylpropan-2-yl)oxycarbonyl-[(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]amino]butanoic acid
CID 174053032
tert-butyl [(E)-4-methylpent-2-enyl] carbonate
CID 101385228
tert-butyl 2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enoate
CID 130058049
tert-butyl (E)-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enoate
CID 131255472

Frequently Asked Questions

What is the IUPAC name of tert-butyl [(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl] carbonate?
The IUPAC name of tert-butyl [(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl] carbonate (CID 25023111) is tert-butyl [(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl] carbonate.
What is the SMILES notation for tert-butyl [(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl] carbonate?
The canonical SMILES for tert-butyl [(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl] carbonate is CC(C)(C)OC(=O)OC/C=C/B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of tert-butyl [(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl] carbonate?
The InChIKey is FOQFJZPIPXTZLB-CMDGGOBGSA-N. The full InChI is InChI=1S/C14H25BO5/c1-12(2,3)18-11(16)17-10-8-9-15-19-13(4,5)14(6,7)20-15/h8-9H,10H2,1-7H3/b9-8+.
What are the key properties of tert-butyl [(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl] carbonate?
tert-butyl [(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl] carbonate has a molecular weight of 284.16 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl [(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl] carbonate is sourced from PubChem (CID 25023111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).