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

C12H23BO2 — CID 57416201

IUPAC2-hex-1-en-2-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESC=C(CCCC)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C12H23BO2/c1-7-8-9-10(2)13-14-11(3,4)12(5,6)15-13/h2,7-9H2,1,3-6H3
InChIKeyMAZWKNHHURISRT-UHFFFAOYSA-N
MW210.13 g/mol
LogP3.36
Rot. Bonds4

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

2-hex-1-en-2-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 57416201) has the molecular formula C12H23BO2 and a molecular weight of 210.13 g/mol. Its IUPAC name is 2-hex-1-en-2-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-hex-1-en-2-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID57416201
Molecular FormulaC12H23BO2
Molecular Weight210.13 g/mol
Exact Mass210.18
IUPAC Name2-hex-1-en-2-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESC=C(CCCC)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C12H23BO2/c1-7-8-9-10(2)13-14-11(3,4)12(5,6)15-13/h2,7-9H2,1,3-6H3
InChIKeyMAZWKNHHURISRT-UHFFFAOYSA-N
XLogP3.36
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.13
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-hex-1-en-2-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-hex-1-en-2-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-hex-1-en-2-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 57416201) is 2-hex-1-en-2-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-hex-1-en-2-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-hex-1-en-2-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is C=C(CCCC)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 2-hex-1-en-2-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is MAZWKNHHURISRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23BO2/c1-7-8-9-10(2)13-14-11(3,4)12(5,6)15-13/h2,7-9H2,1,3-6H3.
What are the key properties of 2-hex-1-en-2-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-hex-1-en-2-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 210.13 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hex-1-en-2-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 57416201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).