2-[2-(cyclobutyloxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C17H25BO3 — CID 79663015

IUPAC2-[2-(cyclobutyloxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(c2ccccc2COC2CCC2)OC1(C)C
InChIInChI=1S/C17H25BO3/c1-16(2)17(3,4)21-18(20-16)15-11-6-5-8-13(15)12-19-14-9-7-10-14/h5-6,8,11,14H,7,9-10,12H2,1-4H3
InChIKeyCVUXBJVPVHZYMW-UHFFFAOYSA-N
MW288.20 g/mol
LogP3.05
Rot. Bonds4

About 2-[2-(cyclobutyloxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[2-(cyclobutyloxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 79663015) has the molecular formula C17H25BO3 and a molecular weight of 288.20 g/mol. Its IUPAC name is 2-[2-(cyclobutyloxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[2-(cyclobutyloxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID79663015
Molecular FormulaC17H25BO3
Molecular Weight288.20 g/mol
Exact Mass288.19
IUPAC Name2-[2-(cyclobutyloxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(c2ccccc2COC2CCC2)OC1(C)C
InChIInChI=1S/C17H25BO3/c1-16(2)17(3,4)21-18(20-16)15-11-6-5-8-13(15)12-19-14-9-7-10-14/h5-6,8,11,14H,7,9-10,12H2,1-4H3
InChIKeyCVUXBJVPVHZYMW-UHFFFAOYSA-N
XLogP3.05
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.20
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[2-(cyclobutyloxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[2-(cyclobutyloxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 79663015) is 2-[2-(cyclobutyloxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[2-(cyclobutyloxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[2-(cyclobutyloxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)OB(c2ccccc2COC2CCC2)OC1(C)C.
What is the InChIKey of 2-[2-(cyclobutyloxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is CVUXBJVPVHZYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BO3/c1-16(2)17(3,4)21-18(20-16)15-11-6-5-8-13(15)12-19-14-9-7-10-14/h5-6,8,11,14H,7,9-10,12H2,1-4H3.
What are the key properties of 2-[2-(cyclobutyloxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[2-(cyclobutyloxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 288.20 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclobutyloxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 79663015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).