trimethyl-[1-[2-[2-methyl-4-[3-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pentan-3-yl]phenyl]ethyl]cyclopentyl]oxysilane;trimethyl-[1-[2-[2-methyl-4-[3-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pentan-3-yl]phenyl]ethynyl]cyclopentyl]oxysilane

C70H106B2O6Si2 — CID 162070005

IUPACtrimethyl-[1-[2-[2-methyl-4-[3-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pentan-3-yl]phenyl]ethyl]cyclopentyl]oxysilane;trimethyl-[1-[2-[2-methyl-4-[3-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pentan-3-yl]phenyl]ethynyl]cyclopentyl]oxysilane
SMILESCCC(CC)(c1ccc(C#CC2(O[Si](C)(C)C)CCCC2)c(C)c1)c1ccc(B2OC(C)(C)C(C)(C)O2)c(C)c1.CCC(CC)(c1ccc(CCC2(O[Si](C)(C)C)CCCC2)c(C)c1)c1ccc(B2OC(C)(C)C(C)(C)O2)c(C)c1
InChIInChI=1S/C35H55BO3Si.C35H51BO3Si/c2*1-12-35(13-2,30-18-19-31(27(4)25-30)36-37-32(5,6)33(7,8)38-36)29-17-16-28(26(3)24-29)20-23-34(21-14-15-22-34)39-40(9,10)11/h16-19,24-25H,12-15,20-23H2,1-11H3;16-19,24-25H,12-15,21-22H2,1-11H3
InChIKeyZAYLIPBAJTXCQV-UHFFFAOYSA-N
MW1121.41 g/mol
LogP17.03
Rot. Bonds17

About trimethyl-[1-[2-[2-methyl-4-[3-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pentan-3-yl]phenyl]ethyl]cyclopentyl]oxysilane;trimethyl-[1-[2-[2-methyl-4-[3-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pentan-3-yl]phenyl]ethynyl]cyclopentyl]oxysilane

trimethyl-[1-[2-[2-methyl-4-[3-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pentan-3-yl]phenyl]ethyl]cyclopentyl]oxysilane;trimethyl-[1-[2-[2-methyl-4-[3-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pentan-3-yl]phenyl]ethynyl]cyclopentyl]oxysilane (PubChem CID 162070005) has the molecular formula C70H106B2O6Si2 and a molecular weight of 1121.41 g/mol. Its IUPAC name is trimethyl-[1-[2-[2-methyl-4-[3-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pentan-3-yl]phenyl]ethyl]cyclopentyl]oxysilane;trimethyl-[1-[2-[2-methyl-4-[3-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pentan-3-yl]phenyl]ethynyl]cyclopentyl]oxysilane.

Molecular Properties

Compound Nametrimethyl-[1-[2-[2-methyl-4-[3-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pentan-3-yl]phenyl]ethyl]cyclopentyl]oxysilane;trimethyl-[1-[2-[2-methyl-4-[3-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pentan-3-yl]phenyl]ethynyl]cyclopentyl]oxysilane
PubChem CID162070005
Molecular FormulaC70H106B2O6Si2
Molecular Weight1121.41 g/mol
Exact Mass1120.77
IUPAC Nametrimethyl-[1-[2-[2-methyl-4-[3-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pentan-3-yl]phenyl]ethyl]cyclopentyl]oxysilane;trimethyl-[1-[2-[2-methyl-4-[3-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pentan-3-yl]phenyl]ethynyl]cyclopentyl]oxysilane
SMILESCCC(CC)(c1ccc(C#CC2(O[Si](C)(C)C)CCCC2)c(C)c1)c1ccc(B2OC(C)(C)C(C)(C)O2)c(C)c1.CCC(CC)(c1ccc(CCC2(O[Si](C)(C)C)CCCC2)c(C)c1)c1ccc(B2OC(C)(C)C(C)(C)O2)c(C)c1
InChIInChI=1S/C35H55BO3Si.C35H51BO3Si/c2*1-12-35(13-2,30-18-19-31(27(4)25-30)36-37-32(5,6)33(7,8)38-36)29-17-16-28(26(3)24-29)20-23-34(21-14-15-22-34)39-40(9,10)11/h16-19,24-25H,12-15,20-23H2,1-11H3;16-19,24-25H,12-15,21-22H2,1-11H3
InChIKeyZAYLIPBAJTXCQV-UHFFFAOYSA-N
XLogP17.03
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001121.41
LogP ≤ 517.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze trimethyl-[1-[2-[2-methyl-4-[3-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pentan-3-yl]phenyl]ethyl]cyclopentyl]oxysilane;trimethyl-[1-[2-[2-methyl-4-[3-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pentan-3-yl]phenyl]ethynyl]cyclopentyl]oxysilane with MolForge

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[1-[2-[2-methyl-4-[3-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pentan-3-yl]phenyl]ethyl]cyclopentyl]oxysilane;trimethyl-[1-[2-[2-methyl-4-[3-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pentan-3-yl]phenyl]ethynyl]cyclopentyl]oxysilane?
The IUPAC name of trimethyl-[1-[2-[2-methyl-4-[3-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pentan-3-yl]phenyl]ethyl]cyclopentyl]oxysilane;trimethyl-[1-[2-[2-methyl-4-[3-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pentan-3-yl]phenyl]ethynyl]cyclopentyl]oxysilane (CID 162070005) is trimethyl-[1-[2-[2-methyl-4-[3-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pentan-3-yl]phenyl]ethyl]cyclopentyl]oxysilane;trimethyl-[1-[2-[2-methyl-4-[3-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pentan-3-yl]phenyl]ethynyl]cyclopentyl]oxysilane.
What is the SMILES notation for trimethyl-[1-[2-[2-methyl-4-[3-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pentan-3-yl]phenyl]ethyl]cyclopentyl]oxysilane;trimethyl-[1-[2-[2-methyl-4-[3-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pentan-3-yl]phenyl]ethynyl]cyclopentyl]oxysilane?
The canonical SMILES for trimethyl-[1-[2-[2-methyl-4-[3-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pentan-3-yl]phenyl]ethyl]cyclopentyl]oxysilane;trimethyl-[1-[2-[2-methyl-4-[3-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pentan-3-yl]phenyl]ethynyl]cyclopentyl]oxysilane is CCC(CC)(c1ccc(C#CC2(O[Si](C)(C)C)CCCC2)c(C)c1)c1ccc(B2OC(C)(C)C(C)(C)O2)c(C)c1.CCC(CC)(c1ccc(CCC2(O[Si](C)(C)C)CCCC2)c(C)c1)c1ccc(B2OC(C)(C)C(C)(C)O2)c(C)c1.
What is the InChIKey of trimethyl-[1-[2-[2-methyl-4-[3-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pentan-3-yl]phenyl]ethyl]cyclopentyl]oxysilane;trimethyl-[1-[2-[2-methyl-4-[3-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pentan-3-yl]phenyl]ethynyl]cyclopentyl]oxysilane?
The InChIKey is ZAYLIPBAJTXCQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H55BO3Si.C35H51BO3Si/c2*1-12-35(13-2,30-18-19-31(27(4)25-30)36-37-32(5,6)33(7,8)38-36)29-17-16-28(26(3)24-29)20-23-34(21-14-15-22-34)39-40(9,10)11/h16-19,24-25H,12-15,20-23H2,1-11H3;16-19,24-25H,12-15,21-22H2,1-11H3.
What are the key properties of trimethyl-[1-[2-[2-methyl-4-[3-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pentan-3-yl]phenyl]ethyl]cyclopentyl]oxysilane;trimethyl-[1-[2-[2-methyl-4-[3-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pentan-3-yl]phenyl]ethynyl]cyclopentyl]oxysilane?
trimethyl-[1-[2-[2-methyl-4-[3-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pentan-3-yl]phenyl]ethyl]cyclopentyl]oxysilane;trimethyl-[1-[2-[2-methyl-4-[3-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pentan-3-yl]phenyl]ethynyl]cyclopentyl]oxysilane has a molecular weight of 1121.41 g/mol, XLogP of 17.03, 17 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[1-[2-[2-methyl-4-[3-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pentan-3-yl]phenyl]ethyl]cyclopentyl]oxysilane;trimethyl-[1-[2-[2-methyl-4-[3-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pentan-3-yl]phenyl]ethynyl]cyclopentyl]oxysilane is sourced from PubChem (CID 162070005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).