4,4,5,5-tetramethyl-2-[4-[8-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-8-tricyclo[5.2.1.02,6]decanyl]phenyl]-1,3,2-dioxaborolane

C34H46B2O4 — CID 89459020

IUPAC4,4,5,5-tetramethyl-2-[4-[8-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-8-tricyclo[5.2.1.02,6]decanyl]phenyl]-1,3,2-dioxaborolane
SMILESCC1(C)OB(c2ccc(C3(c4ccc(B5OC(C)(C)C(C)(C)O5)cc4)CC4CC3C3CCCC43)cc2)OC1(C)C
InChIInChI=1S/C34H46B2O4/c1-30(2)31(3,4)38-35(37-30)25-16-12-23(13-17-25)34(21-22-20-29(34)28-11-9-10-27(22)28)24-14-18-26(19-15-24)36-39-32(5,6)33(7,8)40-36/h12-19,22,27-29H,9-11,20-21H2,1-8H3
InChIKeyVSBDITMTZCRBOD-UHFFFAOYSA-N
MW540.36 g/mol
LogP6.03
Rot. Bonds4

About 4,4,5,5-tetramethyl-2-[4-[8-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-8-tricyclo[5.2.1.02,6]decanyl]phenyl]-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-[4-[8-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-8-tricyclo[5.2.1.02,6]decanyl]phenyl]-1,3,2-dioxaborolane (PubChem CID 89459020) has the molecular formula C34H46B2O4 and a molecular weight of 540.36 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-[4-[8-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-8-tricyclo[5.2.1.02,6]decanyl]phenyl]-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-[4-[8-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-8-tricyclo[5.2.1.02,6]decanyl]phenyl]-1,3,2-dioxaborolane
PubChem CID89459020
Molecular FormulaC34H46B2O4
Molecular Weight540.36 g/mol
Exact Mass540.36
IUPAC Name4,4,5,5-tetramethyl-2-[4-[8-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-8-tricyclo[5.2.1.02,6]decanyl]phenyl]-1,3,2-dioxaborolane
SMILESCC1(C)OB(c2ccc(C3(c4ccc(B5OC(C)(C)C(C)(C)O5)cc4)CC4CC3C3CCCC43)cc2)OC1(C)C
InChIInChI=1S/C34H46B2O4/c1-30(2)31(3,4)38-35(37-30)25-16-12-23(13-17-25)34(21-22-20-29(34)28-11-9-10-27(22)28)24-14-18-26(19-15-24)36-39-32(5,6)33(7,8)40-36/h12-19,22,27-29H,9-11,20-21H2,1-8H3
InChIKeyVSBDITMTZCRBOD-UHFFFAOYSA-N
XLogP6.03
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.36
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4,4,5,5-tetramethyl-2-[4-[8-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-8-tricyclo[5.2.1.02,6]decanyl]phenyl]-1,3,2-dioxaborolane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-[4-[8-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-8-tricyclo[5.2.1.02,6]decanyl]phenyl]-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-[4-[8-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-8-tricyclo[5.2.1.02,6]decanyl]phenyl]-1,3,2-dioxaborolane (CID 89459020) is 4,4,5,5-tetramethyl-2-[4-[8-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-8-tricyclo[5.2.1.02,6]decanyl]phenyl]-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-[4-[8-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-8-tricyclo[5.2.1.02,6]decanyl]phenyl]-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-[4-[8-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-8-tricyclo[5.2.1.02,6]decanyl]phenyl]-1,3,2-dioxaborolane is CC1(C)OB(c2ccc(C3(c4ccc(B5OC(C)(C)C(C)(C)O5)cc4)CC4CC3C3CCCC43)cc2)OC1(C)C.
What is the InChIKey of 4,4,5,5-tetramethyl-2-[4-[8-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-8-tricyclo[5.2.1.02,6]decanyl]phenyl]-1,3,2-dioxaborolane?
The InChIKey is VSBDITMTZCRBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H46B2O4/c1-30(2)31(3,4)38-35(37-30)25-16-12-23(13-17-25)34(21-22-20-29(34)28-11-9-10-27(22)28)24-14-18-26(19-15-24)36-39-32(5,6)33(7,8)40-36/h12-19,22,27-29H,9-11,20-21H2,1-8H3.
What are the key properties of 4,4,5,5-tetramethyl-2-[4-[8-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-8-tricyclo[5.2.1.02,6]decanyl]phenyl]-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-[4-[8-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-8-tricyclo[5.2.1.02,6]decanyl]phenyl]-1,3,2-dioxaborolane has a molecular weight of 540.36 g/mol, XLogP of 6.03, 4 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-[8-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-8-tricyclo[5.2.1.02,6]decanyl]phenyl]-1,3,2-dioxaborolane is sourced from PubChem (CID 89459020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).