2-but-1-en-2-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C10H19BO2 — CID 86724022

IUPAC2-but-1-en-2-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESC=C(CC)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C10H19BO2/c1-7-8(2)11-12-9(3,4)10(5,6)13-11/h2,7H2,1,3-6H3
InChIKeyIXSCPVMCIYQEKY-UHFFFAOYSA-N
MW182.07 g/mol
LogP2.58
Rot. Bonds2

About 2-but-1-en-2-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-but-1-en-2-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 86724022) has the molecular formula C10H19BO2 and a molecular weight of 182.07 g/mol. Its IUPAC name is 2-but-1-en-2-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-but-1-en-2-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID86724022
Molecular FormulaC10H19BO2
Molecular Weight182.07 g/mol
Exact Mass182.15
IUPAC Name2-but-1-en-2-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESC=C(CC)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C10H19BO2/c1-7-8(2)11-12-9(3,4)10(5,6)13-11/h2,7H2,1,3-6H3
InChIKeyIXSCPVMCIYQEKY-UHFFFAOYSA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-but-1-en-2-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-but-1-en-2-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 86724022) is 2-but-1-en-2-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-but-1-en-2-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-but-1-en-2-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is C=C(CC)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 2-but-1-en-2-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is IXSCPVMCIYQEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BO2/c1-7-8(2)11-12-9(3,4)10(5,6)13-11/h2,7H2,1,3-6H3.
What are the key properties of 2-but-1-en-2-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-but-1-en-2-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 182.07 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-1-en-2-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 86724022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).