2-methyl-3-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]benzaldehyde

C14H19BO4 — CID 150108044

IUPAC2-methyl-3-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]benzaldehyde
SMILESCc1c(C=O)cccc1OB1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C14H19BO4/c1-10-11(9-16)7-6-8-12(10)17-15-18-13(2,3)14(4,5)19-15/h6-9H,1-5H3
InChIKeyDWQWRQUHPDYRCT-UHFFFAOYSA-N
MW262.11 g/mol
LogP2.78
Rot. Bonds3

About 2-methyl-3-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]benzaldehyde

2-methyl-3-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]benzaldehyde (PubChem CID 150108044) has the molecular formula C14H19BO4 and a molecular weight of 262.11 g/mol. Its IUPAC name is 2-methyl-3-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]benzaldehyde.

Molecular Properties

Compound Name2-methyl-3-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]benzaldehyde
PubChem CID150108044
Molecular FormulaC14H19BO4
Molecular Weight262.11 g/mol
Exact Mass262.14
IUPAC Name2-methyl-3-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]benzaldehyde
SMILESCc1c(C=O)cccc1OB1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C14H19BO4/c1-10-11(9-16)7-6-8-12(10)17-15-18-13(2,3)14(4,5)19-15/h6-9H,1-5H3
InChIKeyDWQWRQUHPDYRCT-UHFFFAOYSA-N
XLogP2.78
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.11
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-ethoxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde
CID 59515161
3-(4-aminobutoxy)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde
CID 87112827
2-methyl-3-(oxiran-2-ylmethoxy)benzaldehyde
CID 91239700
3-(2-phenylethoxy)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde
CID 170993688
3-(3-formyl-2-methylphenyl)-2-methylbenzaldehyde
CID 86188059
2-(2-formyl-6-methoxyphenyl)-3-methoxybenzaldehyde
CID 15694387
3-[hydroxy(sulfanyl)phosphinothioyl]oxy-2-methylbenzaldehyde
CID 88742794
2-(methylamino)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde
CID 130141132
3-bromo-2-methylbenzaldehyde;methoxymethane
CID 142299321
3-(oxan-2-yloxymethoxy)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde
CID 59515301
2,3-dimethylbenzaldehyde;hydrazine
CID 158628869
2-(2-formyl-6-methoxyphenyl)-3-methylbenzaldehyde
CID 175847419

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]benzaldehyde?
The IUPAC name of 2-methyl-3-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]benzaldehyde (CID 150108044) is 2-methyl-3-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]benzaldehyde.
What is the SMILES notation for 2-methyl-3-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]benzaldehyde?
The canonical SMILES for 2-methyl-3-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]benzaldehyde is Cc1c(C=O)cccc1OB1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 2-methyl-3-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]benzaldehyde?
The InChIKey is DWQWRQUHPDYRCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BO4/c1-10-11(9-16)7-6-8-12(10)17-15-18-13(2,3)14(4,5)19-15/h6-9H,1-5H3.
What are the key properties of 2-methyl-3-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]benzaldehyde?
2-methyl-3-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]benzaldehyde has a molecular weight of 262.11 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]benzaldehyde is sourced from PubChem (CID 150108044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).