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

C17H25BO3 — CID 79662510

IUPAC4,4,5,5-tetramethyl-2-[4-(2-methylidenebutoxy)phenyl]-1,3,2-dioxaborolane
SMILESC=C(CC)COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1
InChIInChI=1S/C17H25BO3/c1-7-13(2)12-19-15-10-8-14(9-11-15)18-20-16(3,4)17(5,6)21-18/h8-11H,2,7,12H2,1,3-6H3
InChIKeyRBYZDLWNVBZFOM-UHFFFAOYSA-N
MW288.20 g/mol
LogP3.33
Rot. Bonds5

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

4,4,5,5-tetramethyl-2-[4-(2-methylidenebutoxy)phenyl]-1,3,2-dioxaborolane (PubChem CID 79662510) has the molecular formula C17H25BO3 and a molecular weight of 288.20 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-[4-(2-methylidenebutoxy)phenyl]-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-[4-(2-methylidenebutoxy)phenyl]-1,3,2-dioxaborolane
PubChem CID79662510
Molecular FormulaC17H25BO3
Molecular Weight288.20 g/mol
Exact Mass288.19
IUPAC Name4,4,5,5-tetramethyl-2-[4-(2-methylidenebutoxy)phenyl]-1,3,2-dioxaborolane
SMILESC=C(CC)COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1
InChIInChI=1S/C17H25BO3/c1-7-13(2)12-19-15-10-8-14(9-11-15)18-20-16(3,4)17(5,6)21-18/h8-11H,2,7,12H2,1,3-6H3
InChIKeyRBYZDLWNVBZFOM-UHFFFAOYSA-N
XLogP3.33
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.20
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methylidenebutoxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 79662775
1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]butan-2-ol
CID 59217675
2-(4-but-1-en-2-ylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 145014967
4,4,5,5-tetramethyl-2-(4-octoxyphenyl)-1,3,2-dioxaborolane
CID 130161708
4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]butan-1-amine
CID 58473538
2-[4-(2-methoxy-2-methylpropoxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 169243364
2-[4-[2-(3,5-dimethylphenoxy)ethoxy]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 113249640
2-[methyl-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl]amino]ethanol
CID 161056043
2-[4-[(4-chlorophenyl)methoxy]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 134686812
1-methyl-4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]methyl]imidazole
CID 58585908
2-[4-[2-(2,6-dimethylphenoxy)ethoxy]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 113249624
3-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]methyl]thietane 1,1-dioxide
CID 177227874

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-[4-(2-methylidenebutoxy)phenyl]-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-[4-(2-methylidenebutoxy)phenyl]-1,3,2-dioxaborolane (CID 79662510) is 4,4,5,5-tetramethyl-2-[4-(2-methylidenebutoxy)phenyl]-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-[4-(2-methylidenebutoxy)phenyl]-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-[4-(2-methylidenebutoxy)phenyl]-1,3,2-dioxaborolane is C=C(CC)COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1.
What is the InChIKey of 4,4,5,5-tetramethyl-2-[4-(2-methylidenebutoxy)phenyl]-1,3,2-dioxaborolane?
The InChIKey is RBYZDLWNVBZFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BO3/c1-7-13(2)12-19-15-10-8-14(9-11-15)18-20-16(3,4)17(5,6)21-18/h8-11H,2,7,12H2,1,3-6H3.
What are the key properties of 4,4,5,5-tetramethyl-2-[4-(2-methylidenebutoxy)phenyl]-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-[4-(2-methylidenebutoxy)phenyl]-1,3,2-dioxaborolane has a molecular weight of 288.20 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetramethyl-2-[4-(2-methylidenebutoxy)phenyl]-1,3,2-dioxaborolane is sourced from PubChem (CID 79662510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).