tris[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy]-(4-phenylphenyl)silane

C42H66O6Si4 — CID 59755227

IUPACtris[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy]-(4-phenylphenyl)silane
SMILESC[Si](C)(CCC1CCC2OC2C1)O[Si](O[Si](C)(C)CCC1CCC2OC2C1)(O[Si](C)(C)CCC1CCC2OC2C1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C42H66O6Si4/c1-49(2,25-22-31-12-19-37-40(28-31)43-37)46-52(36-17-15-35(16-18-36)34-10-8-7-9-11-34,47-50(3,4)26-23-32-13-20-38-41(29-32)44-38)48-51(5,6)27-24-33-14-21-39-42(30-33)45-39/h7-11,15-18,31-33,37-42H,12-14,19-30H2,1-6H3
InChIKeyQHWQSMDNIVOKSC-UHFFFAOYSA-N
MW779.33 g/mol
LogP10.04
Rot. Bonds17

About tris[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy]-(4-phenylphenyl)silane

tris[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy]-(4-phenylphenyl)silane (PubChem CID 59755227) has the molecular formula C42H66O6Si4 and a molecular weight of 779.33 g/mol. Its IUPAC name is tris[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy]-(4-phenylphenyl)silane.

Molecular Properties

Compound Nametris[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy]-(4-phenylphenyl)silane
PubChem CID59755227
Molecular FormulaC42H66O6Si4
Molecular Weight779.33 g/mol
Exact Mass778.39
IUPAC Nametris[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy]-(4-phenylphenyl)silane
SMILESC[Si](C)(CCC1CCC2OC2C1)O[Si](O[Si](C)(C)CCC1CCC2OC2C1)(O[Si](C)(C)CCC1CCC2OC2C1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C42H66O6Si4/c1-49(2,25-22-31-12-19-37-40(28-31)43-37)46-52(36-17-15-35(16-18-36)34-10-8-7-9-11-34,47-50(3,4)26-23-32-13-20-38-41(29-32)44-38)48-51(5,6)27-24-33-14-21-39-42(30-33)45-39/h7-11,15-18,31-33,37-42H,12-14,19-30H2,1-6H3
InChIKeyQHWQSMDNIVOKSC-UHFFFAOYSA-N
XLogP10.04
TPSA65.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500779.33
LogP ≤ 510.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tris[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy]-(4-phenylphenyl)silane?
The IUPAC name of tris[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy]-(4-phenylphenyl)silane (CID 59755227) is tris[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy]-(4-phenylphenyl)silane.
What is the SMILES notation for tris[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy]-(4-phenylphenyl)silane?
The canonical SMILES for tris[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy]-(4-phenylphenyl)silane is C[Si](C)(CCC1CCC2OC2C1)O[Si](O[Si](C)(C)CCC1CCC2OC2C1)(O[Si](C)(C)CCC1CCC2OC2C1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of tris[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy]-(4-phenylphenyl)silane?
The InChIKey is QHWQSMDNIVOKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H66O6Si4/c1-49(2,25-22-31-12-19-37-40(28-31)43-37)46-52(36-17-15-35(16-18-36)34-10-8-7-9-11-34,47-50(3,4)26-23-32-13-20-38-41(29-32)44-38)48-51(5,6)27-24-33-14-21-39-42(30-33)45-39/h7-11,15-18,31-33,37-42H,12-14,19-30H2,1-6H3.
What are the key properties of tris[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy]-(4-phenylphenyl)silane?
tris[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy]-(4-phenylphenyl)silane has a molecular weight of 779.33 g/mol, XLogP of 10.04, 17 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tris[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy]-(4-phenylphenyl)silane is sourced from PubChem (CID 59755227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).