2-(4-cyclopropyl-2-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C16H23BO2 — CID 66521522

IUPAC2-(4-cyclopropyl-2-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCc1cc(C2CC2)ccc1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C16H23BO2/c1-11-10-13(12-6-7-12)8-9-14(11)17-18-15(2,3)16(4,5)19-17/h8-10,12H,6-7H2,1-5H3
InChIKeyDZGFIVVTWQOWPI-UHFFFAOYSA-N
MW258.17 g/mol
LogP3.17
Rot. Bonds2

About 2-(4-cyclopropyl-2-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(4-cyclopropyl-2-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 66521522) has the molecular formula C16H23BO2 and a molecular weight of 258.17 g/mol. Its IUPAC name is 2-(4-cyclopropyl-2-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(4-cyclopropyl-2-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID66521522
Molecular FormulaC16H23BO2
Molecular Weight258.17 g/mol
Exact Mass258.18
IUPAC Name2-(4-cyclopropyl-2-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCc1cc(C2CC2)ccc1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C16H23BO2/c1-11-10-13(12-6-7-12)8-9-14(11)17-18-15(2,3)16(4,5)19-17/h8-10,12H,6-7H2,1-5H3
InChIKeyDZGFIVVTWQOWPI-UHFFFAOYSA-N
XLogP3.17
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.17
LogP ≤ 53.17
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-(4-cyclopropyl-2-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(4-cyclopropyl-2-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 66521522) is 2-(4-cyclopropyl-2-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(4-cyclopropyl-2-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(4-cyclopropyl-2-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is Cc1cc(C2CC2)ccc1B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 2-(4-cyclopropyl-2-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is DZGFIVVTWQOWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BO2/c1-11-10-13(12-6-7-12)8-9-14(11)17-18-15(2,3)16(4,5)19-17/h8-10,12H,6-7H2,1-5H3.
What are the key properties of 2-(4-cyclopropyl-2-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-(4-cyclopropyl-2-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 258.17 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropyl-2-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 66521522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).