2-(2,2-dipropylpent-4-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C17H33BO2 — CID 122366992

IUPAC2-(2,2-dipropylpent-4-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESC=CCC(CCC)(CCC)CB1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C17H33BO2/c1-8-11-17(12-9-2,13-10-3)14-18-19-15(4,5)16(6,7)20-18/h8H,1,9-14H2,2-7H3
InChIKeyXVONGCBQMDEHJW-UHFFFAOYSA-N
MW280.26 g/mol
LogP5.24
Rot. Bonds8

About 2-(2,2-dipropylpent-4-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(2,2-dipropylpent-4-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 122366992) has the molecular formula C17H33BO2 and a molecular weight of 280.26 g/mol. Its IUPAC name is 2-(2,2-dipropylpent-4-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(2,2-dipropylpent-4-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID122366992
Molecular FormulaC17H33BO2
Molecular Weight280.26 g/mol
Exact Mass280.26
IUPAC Name2-(2,2-dipropylpent-4-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESC=CCC(CCC)(CCC)CB1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C17H33BO2/c1-8-11-17(12-9-2,13-10-3)14-18-19-15(4,5)16(6,7)20-18/h8H,1,9-14H2,2-7H3
InChIKeyXVONGCBQMDEHJW-UHFFFAOYSA-N
XLogP5.24
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.26
LogP ≤ 55.24
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-(2,2-dipropylpent-4-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(2,2-dipropylpent-4-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 122366992) is 2-(2,2-dipropylpent-4-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(2,2-dipropylpent-4-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(2,2-dipropylpent-4-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is C=CCC(CCC)(CCC)CB1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 2-(2,2-dipropylpent-4-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is XVONGCBQMDEHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33BO2/c1-8-11-17(12-9-2,13-10-3)14-18-19-15(4,5)16(6,7)20-18/h8H,1,9-14H2,2-7H3.
What are the key properties of 2-(2,2-dipropylpent-4-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-(2,2-dipropylpent-4-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 280.26 g/mol, XLogP of 5.24, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dipropylpent-4-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 122366992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).