[4-[4-[4-[[dimethyl(2-methylpropyl)silyl]oxymethyl]phenyl]-2,3-diphenylcyclopenta-1,3-dien-1-yl]phenyl]methoxy-dimethyl-(2-methylpropyl)silane

C43H54O2Si2 — CID 68791013

IUPAC[4-[4-[4-[[dimethyl(2-methylpropyl)silyl]oxymethyl]phenyl]-2,3-diphenylcyclopenta-1,3-dien-1-yl]phenyl]methoxy-dimethyl-(2-methylpropyl)silane
SMILESCC(C)C[Si](C)(C)OCc1ccc(C2=C(c3ccccc3)C(c3ccccc3)=C(c3ccc(CO[Si](C)(C)CC(C)C)cc3)C2)cc1
InChIInChI=1S/C43H54O2Si2/c1-32(2)30-46(5,6)44-28-34-19-23-36(24-20-34)40-27-41(37-25-21-35(22-26-37)29-45-47(7,8)31-33(3)4)43(39-17-13-10-14-18-39)42(40)38-15-11-9-12-16-38/h9-26,32-33H,27-31H2,1-8H3
InChIKeyKLJPXQWLYGDYSS-UHFFFAOYSA-N
MW659.08 g/mol
LogP12.37
Rot. Bonds14

About [4-[4-[4-[[dimethyl(2-methylpropyl)silyl]oxymethyl]phenyl]-2,3-diphenylcyclopenta-1,3-dien-1-yl]phenyl]methoxy-dimethyl-(2-methylpropyl)silane

[4-[4-[4-[[dimethyl(2-methylpropyl)silyl]oxymethyl]phenyl]-2,3-diphenylcyclopenta-1,3-dien-1-yl]phenyl]methoxy-dimethyl-(2-methylpropyl)silane (PubChem CID 68791013) has the molecular formula C43H54O2Si2 and a molecular weight of 659.08 g/mol. Its IUPAC name is [4-[4-[4-[[dimethyl(2-methylpropyl)silyl]oxymethyl]phenyl]-2,3-diphenylcyclopenta-1,3-dien-1-yl]phenyl]methoxy-dimethyl-(2-methylpropyl)silane.

Molecular Properties

Compound Name[4-[4-[4-[[dimethyl(2-methylpropyl)silyl]oxymethyl]phenyl]-2,3-diphenylcyclopenta-1,3-dien-1-yl]phenyl]methoxy-dimethyl-(2-methylpropyl)silane
PubChem CID68791013
Molecular FormulaC43H54O2Si2
Molecular Weight659.08 g/mol
Exact Mass658.37
IUPAC Name[4-[4-[4-[[dimethyl(2-methylpropyl)silyl]oxymethyl]phenyl]-2,3-diphenylcyclopenta-1,3-dien-1-yl]phenyl]methoxy-dimethyl-(2-methylpropyl)silane
SMILESCC(C)C[Si](C)(C)OCc1ccc(C2=C(c3ccccc3)C(c3ccccc3)=C(c3ccc(CO[Si](C)(C)CC(C)C)cc3)C2)cc1
InChIInChI=1S/C43H54O2Si2/c1-32(2)30-46(5,6)44-28-34-19-23-36(24-20-34)40-27-41(37-25-21-35(22-26-37)29-45-47(7,8)31-33(3)4)43(39-17-13-10-14-18-39)42(40)38-15-11-9-12-16-38/h9-26,32-33H,27-31H2,1-8H3
InChIKeyKLJPXQWLYGDYSS-UHFFFAOYSA-N
XLogP12.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500659.08
LogP ≤ 512.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-[4-[4-[[dimethyl(2-methylpropyl)silyl]oxymethyl]phenyl]-2,3-diphenylcyclopenta-1,3-dien-1-yl]phenyl]methoxy-dimethyl-(2-methylpropyl)silane?
The IUPAC name of [4-[4-[4-[[dimethyl(2-methylpropyl)silyl]oxymethyl]phenyl]-2,3-diphenylcyclopenta-1,3-dien-1-yl]phenyl]methoxy-dimethyl-(2-methylpropyl)silane (CID 68791013) is [4-[4-[4-[[dimethyl(2-methylpropyl)silyl]oxymethyl]phenyl]-2,3-diphenylcyclopenta-1,3-dien-1-yl]phenyl]methoxy-dimethyl-(2-methylpropyl)silane.
What is the SMILES notation for [4-[4-[4-[[dimethyl(2-methylpropyl)silyl]oxymethyl]phenyl]-2,3-diphenylcyclopenta-1,3-dien-1-yl]phenyl]methoxy-dimethyl-(2-methylpropyl)silane?
The canonical SMILES for [4-[4-[4-[[dimethyl(2-methylpropyl)silyl]oxymethyl]phenyl]-2,3-diphenylcyclopenta-1,3-dien-1-yl]phenyl]methoxy-dimethyl-(2-methylpropyl)silane is CC(C)C[Si](C)(C)OCc1ccc(C2=C(c3ccccc3)C(c3ccccc3)=C(c3ccc(CO[Si](C)(C)CC(C)C)cc3)C2)cc1.
What is the InChIKey of [4-[4-[4-[[dimethyl(2-methylpropyl)silyl]oxymethyl]phenyl]-2,3-diphenylcyclopenta-1,3-dien-1-yl]phenyl]methoxy-dimethyl-(2-methylpropyl)silane?
The InChIKey is KLJPXQWLYGDYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H54O2Si2/c1-32(2)30-46(5,6)44-28-34-19-23-36(24-20-34)40-27-41(37-25-21-35(22-26-37)29-45-47(7,8)31-33(3)4)43(39-17-13-10-14-18-39)42(40)38-15-11-9-12-16-38/h9-26,32-33H,27-31H2,1-8H3.
What are the key properties of [4-[4-[4-[[dimethyl(2-methylpropyl)silyl]oxymethyl]phenyl]-2,3-diphenylcyclopenta-1,3-dien-1-yl]phenyl]methoxy-dimethyl-(2-methylpropyl)silane?
[4-[4-[4-[[dimethyl(2-methylpropyl)silyl]oxymethyl]phenyl]-2,3-diphenylcyclopenta-1,3-dien-1-yl]phenyl]methoxy-dimethyl-(2-methylpropyl)silane has a molecular weight of 659.08 g/mol, XLogP of 12.37, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[4-[[dimethyl(2-methylpropyl)silyl]oxymethyl]phenyl]-2,3-diphenylcyclopenta-1,3-dien-1-yl]phenyl]methoxy-dimethyl-(2-methylpropyl)silane is sourced from PubChem (CID 68791013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).