2-(3-ethenylhexan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C14H27BO2 — CID 132601552

IUPAC2-(3-ethenylhexan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESC=CC(CCC)C(C)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C14H27BO2/c1-8-10-12(9-2)11(3)15-16-13(4,5)14(6,7)17-15/h9,11-12H,2,8,10H2,1,3-7H3
InChIKeyVITDYDAPQKGQBV-UHFFFAOYSA-N
MW238.18 g/mol
LogP4.07
Rot. Bonds5

About 2-(3-ethenylhexan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(3-ethenylhexan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 132601552) has the molecular formula C14H27BO2 and a molecular weight of 238.18 g/mol. Its IUPAC name is 2-(3-ethenylhexan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(3-ethenylhexan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID132601552
Molecular FormulaC14H27BO2
Molecular Weight238.18 g/mol
Exact Mass238.21
IUPAC Name2-(3-ethenylhexan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESC=CC(CCC)C(C)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C14H27BO2/c1-8-10-12(9-2)11(3)15-16-13(4,5)14(6,7)17-15/h9,11-12H,2,8,10H2,1,3-7H3
InChIKeyVITDYDAPQKGQBV-UHFFFAOYSA-N
XLogP4.07
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.18
LogP ≤ 54.07
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-(3-ethenylhexan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(3-ethenylhexan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 132601552) is 2-(3-ethenylhexan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(3-ethenylhexan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(3-ethenylhexan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is C=CC(CCC)C(C)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 2-(3-ethenylhexan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is VITDYDAPQKGQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27BO2/c1-8-10-12(9-2)11(3)15-16-13(4,5)14(6,7)17-15/h9,11-12H,2,8,10H2,1,3-7H3.
What are the key properties of 2-(3-ethenylhexan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-(3-ethenylhexan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 238.18 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethenylhexan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 132601552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).