2-[(E)-but-2-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C10H19BO2 — CID 11805368

IUPAC2-[(E)-but-2-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESC/C=C/CB1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C10H19BO2/c1-6-7-8-11-12-9(2,3)10(4,5)13-11/h6-7H,8H2,1-5H3/b7-6+
InChIKeyARSSMJZIAKUXEW-VOTSOKGWSA-N
MW182.07 g/mol
LogP2.65
Rot. Bonds2

About 2-[(E)-but-2-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[(E)-but-2-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 11805368) has the molecular formula C10H19BO2 and a molecular weight of 182.07 g/mol. Its IUPAC name is 2-[(E)-but-2-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[(E)-but-2-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID11805368
Molecular FormulaC10H19BO2
Molecular Weight182.07 g/mol
Exact Mass182.15
IUPAC Name2-[(E)-but-2-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESC/C=C/CB1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C10H19BO2/c1-6-7-8-11-12-9(2,3)10(4,5)13-11/h6-7H,8H2,1-5H3/b7-6+
InChIKeyARSSMJZIAKUXEW-VOTSOKGWSA-N
XLogP2.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.07
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-but-2-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[(E)-but-2-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 11805368) is 2-[(E)-but-2-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[(E)-but-2-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[(E)-but-2-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is C/C=C/CB1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 2-[(E)-but-2-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is ARSSMJZIAKUXEW-VOTSOKGWSA-N. The full InChI is InChI=1S/C10H19BO2/c1-6-7-8-11-12-9(2,3)10(4,5)13-11/h6-7H,8H2,1-5H3/b7-6+.
What are the key properties of 2-[(E)-but-2-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[(E)-but-2-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 182.07 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-but-2-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 11805368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).