tetrakis[4-[(3-methyloxetan-3-yl)methyl]phenyl]silane

C44H52O4Si — CID 101190421

IUPACtetrakis[4-[(3-methyloxetan-3-yl)methyl]phenyl]silane
SMILESCC1(Cc2ccc([Si](c3ccc(CC4(C)COC4)cc3)(c3ccc(CC4(C)COC4)cc3)c3ccc(CC4(C)COC4)cc3)cc2)COC1
InChIInChI=1S/C44H52O4Si/c1-41(25-45-26-41)21-33-5-13-37(14-6-33)49(38-15-7-34(8-16-38)22-42(2)27-46-28-42,39-17-9-35(10-18-39)23-43(3)29-47-30-43)40-19-11-36(12-20-40)24-44(4)31-48-32-44/h5-20H,21-32H2,1-4H3
InChIKeyHQCTXGREJJEEHM-UHFFFAOYSA-N
MW672.98 g/mol
LogP5.38
Rot. Bonds12

About tetrakis[4-[(3-methyloxetan-3-yl)methyl]phenyl]silane

tetrakis[4-[(3-methyloxetan-3-yl)methyl]phenyl]silane (PubChem CID 101190421) has the molecular formula C44H52O4Si and a molecular weight of 672.98 g/mol. Its IUPAC name is tetrakis[4-[(3-methyloxetan-3-yl)methyl]phenyl]silane.

Molecular Properties

Compound Nametetrakis[4-[(3-methyloxetan-3-yl)methyl]phenyl]silane
PubChem CID101190421
Molecular FormulaC44H52O4Si
Molecular Weight672.98 g/mol
Exact Mass672.36
IUPAC Nametetrakis[4-[(3-methyloxetan-3-yl)methyl]phenyl]silane
SMILESCC1(Cc2ccc([Si](c3ccc(CC4(C)COC4)cc3)(c3ccc(CC4(C)COC4)cc3)c3ccc(CC4(C)COC4)cc3)cc2)COC1
InChIInChI=1S/C44H52O4Si/c1-41(25-45-26-41)21-33-5-13-37(14-6-33)49(38-15-7-34(8-16-38)22-42(2)27-46-28-42,39-17-9-35(10-18-39)23-43(3)29-47-30-43)40-19-11-36(12-20-40)24-44(4)31-48-32-44/h5-20H,21-32H2,1-4H3
InChIKeyHQCTXGREJJEEHM-UHFFFAOYSA-N
XLogP5.38
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.98
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tetrakis[4-[(3-methyloxetan-3-yl)methyl]phenyl]silane?
The IUPAC name of tetrakis[4-[(3-methyloxetan-3-yl)methyl]phenyl]silane (CID 101190421) is tetrakis[4-[(3-methyloxetan-3-yl)methyl]phenyl]silane.
What is the SMILES notation for tetrakis[4-[(3-methyloxetan-3-yl)methyl]phenyl]silane?
The canonical SMILES for tetrakis[4-[(3-methyloxetan-3-yl)methyl]phenyl]silane is CC1(Cc2ccc([Si](c3ccc(CC4(C)COC4)cc3)(c3ccc(CC4(C)COC4)cc3)c3ccc(CC4(C)COC4)cc3)cc2)COC1.
What is the InChIKey of tetrakis[4-[(3-methyloxetan-3-yl)methyl]phenyl]silane?
The InChIKey is HQCTXGREJJEEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H52O4Si/c1-41(25-45-26-41)21-33-5-13-37(14-6-33)49(38-15-7-34(8-16-38)22-42(2)27-46-28-42,39-17-9-35(10-18-39)23-43(3)29-47-30-43)40-19-11-36(12-20-40)24-44(4)31-48-32-44/h5-20H,21-32H2,1-4H3.
What are the key properties of tetrakis[4-[(3-methyloxetan-3-yl)methyl]phenyl]silane?
tetrakis[4-[(3-methyloxetan-3-yl)methyl]phenyl]silane has a molecular weight of 672.98 g/mol, XLogP of 5.38, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis[4-[(3-methyloxetan-3-yl)methyl]phenyl]silane is sourced from PubChem (CID 101190421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).