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

C19H29BO4 — CID 67968775

IUPAC4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]-1,3,2-dioxaborolane
SMILESCC1(C)OB(c2ccc(C3OC(C)(C)C(C)(C)O3)cc2)OC1(C)C
InChIInChI=1S/C19H29BO4/c1-16(2)17(3,4)22-15(21-16)13-9-11-14(12-10-13)20-23-18(5,6)19(7,8)24-20/h9-12,15H,1-8H3
InChIKeyDOMGDCPSUQNREF-UHFFFAOYSA-N
MW332.25 g/mol
LogP3.59
Rot. Bonds2

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

4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]-1,3,2-dioxaborolane (PubChem CID 67968775) has the molecular formula C19H29BO4 and a molecular weight of 332.25 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]-1,3,2-dioxaborolane
PubChem CID67968775
Molecular FormulaC19H29BO4
Molecular Weight332.25 g/mol
Exact Mass332.22
IUPAC Name4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]-1,3,2-dioxaborolane
SMILESCC1(C)OB(c2ccc(C3OC(C)(C)C(C)(C)O3)cc2)OC1(C)C
InChIInChI=1S/C19H29BO4/c1-16(2)17(3,4)22-15(21-16)13-9-11-14(12-10-13)20-23-18(5,6)19(7,8)24-20/h9-12,15H,1-8H3
InChIKeyDOMGDCPSUQNREF-UHFFFAOYSA-N
XLogP3.59
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.25
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]-1,3,2-dioxaborolane (CID 67968775) is 4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]-1,3,2-dioxaborolane is CC1(C)OB(c2ccc(C3OC(C)(C)C(C)(C)O3)cc2)OC1(C)C.
What is the InChIKey of 4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]-1,3,2-dioxaborolane?
The InChIKey is DOMGDCPSUQNREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29BO4/c1-16(2)17(3,4)22-15(21-16)13-9-11-14(12-10-13)20-23-18(5,6)19(7,8)24-20/h9-12,15H,1-8H3.
What are the key properties of 4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]-1,3,2-dioxaborolane has a molecular weight of 332.25 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]-1,3,2-dioxaborolane is sourced from PubChem (CID 67968775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).