dicyclohexyl-[2-(2-methyl-3-phenylphenyl)phenoxy]-[2-[2-(oxan-2-yloxy)-3-phenylphenyl]phenoxy]silane

C54H58O4Si — CID 160674595

IUPACdicyclohexyl-[2-(2-methyl-3-phenylphenyl)phenoxy]-[2-[2-(oxan-2-yloxy)-3-phenylphenyl]phenoxy]silane
SMILESCc1c(-c2ccccc2)cccc1-c1ccccc1O[Si](Oc1ccccc1-c1cccc(-c2ccccc2)c1OC1CCCCO1)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C54H58O4Si/c1-40-45(41-22-6-2-7-23-41)32-20-33-46(40)48-30-14-16-36-51(48)57-59(43-26-10-4-11-27-43,44-28-12-5-13-29-44)58-52-37-17-15-31-49(52)50-35-21-34-47(42-24-8-3-9-25-42)54(50)56-53-38-18-19-39-55-53/h2-3,6-9,14-17,20-25,30-37,43-44,53H,4-5,10-13,18-19,26-29,38-39H2,1H3
InChIKeySEBNBXHUNLJHLY-UHFFFAOYSA-N
MW799.14 g/mol
LogP15.14
Rot. Bonds12

About dicyclohexyl-[2-(2-methyl-3-phenylphenyl)phenoxy]-[2-[2-(oxan-2-yloxy)-3-phenylphenyl]phenoxy]silane

dicyclohexyl-[2-(2-methyl-3-phenylphenyl)phenoxy]-[2-[2-(oxan-2-yloxy)-3-phenylphenyl]phenoxy]silane (PubChem CID 160674595) has the molecular formula C54H58O4Si and a molecular weight of 799.14 g/mol. Its IUPAC name is dicyclohexyl-[2-(2-methyl-3-phenylphenyl)phenoxy]-[2-[2-(oxan-2-yloxy)-3-phenylphenyl]phenoxy]silane.

Molecular Properties

Compound Namedicyclohexyl-[2-(2-methyl-3-phenylphenyl)phenoxy]-[2-[2-(oxan-2-yloxy)-3-phenylphenyl]phenoxy]silane
PubChem CID160674595
Molecular FormulaC54H58O4Si
Molecular Weight799.14 g/mol
Exact Mass798.41
IUPAC Namedicyclohexyl-[2-(2-methyl-3-phenylphenyl)phenoxy]-[2-[2-(oxan-2-yloxy)-3-phenylphenyl]phenoxy]silane
SMILESCc1c(-c2ccccc2)cccc1-c1ccccc1O[Si](Oc1ccccc1-c1cccc(-c2ccccc2)c1OC1CCCCO1)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C54H58O4Si/c1-40-45(41-22-6-2-7-23-41)32-20-33-46(40)48-30-14-16-36-51(48)57-59(43-26-10-4-11-27-43,44-28-12-5-13-29-44)58-52-37-17-15-31-49(52)50-35-21-34-47(42-24-8-3-9-25-42)54(50)56-53-38-18-19-39-55-53/h2-3,6-9,14-17,20-25,30-37,43-44,53H,4-5,10-13,18-19,26-29,38-39H2,1H3
InChIKeySEBNBXHUNLJHLY-UHFFFAOYSA-N
XLogP15.14
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500799.14
LogP ≤ 515.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dicyclohexyl-[2-(2-methyl-3-phenylphenyl)phenoxy]-[2-[2-(oxan-2-yloxy)-3-phenylphenyl]phenoxy]silane?
The IUPAC name of dicyclohexyl-[2-(2-methyl-3-phenylphenyl)phenoxy]-[2-[2-(oxan-2-yloxy)-3-phenylphenyl]phenoxy]silane (CID 160674595) is dicyclohexyl-[2-(2-methyl-3-phenylphenyl)phenoxy]-[2-[2-(oxan-2-yloxy)-3-phenylphenyl]phenoxy]silane.
What is the SMILES notation for dicyclohexyl-[2-(2-methyl-3-phenylphenyl)phenoxy]-[2-[2-(oxan-2-yloxy)-3-phenylphenyl]phenoxy]silane?
The canonical SMILES for dicyclohexyl-[2-(2-methyl-3-phenylphenyl)phenoxy]-[2-[2-(oxan-2-yloxy)-3-phenylphenyl]phenoxy]silane is Cc1c(-c2ccccc2)cccc1-c1ccccc1O[Si](Oc1ccccc1-c1cccc(-c2ccccc2)c1OC1CCCCO1)(C1CCCCC1)C1CCCCC1.
What is the InChIKey of dicyclohexyl-[2-(2-methyl-3-phenylphenyl)phenoxy]-[2-[2-(oxan-2-yloxy)-3-phenylphenyl]phenoxy]silane?
The InChIKey is SEBNBXHUNLJHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H58O4Si/c1-40-45(41-22-6-2-7-23-41)32-20-33-46(40)48-30-14-16-36-51(48)57-59(43-26-10-4-11-27-43,44-28-12-5-13-29-44)58-52-37-17-15-31-49(52)50-35-21-34-47(42-24-8-3-9-25-42)54(50)56-53-38-18-19-39-55-53/h2-3,6-9,14-17,20-25,30-37,43-44,53H,4-5,10-13,18-19,26-29,38-39H2,1H3.
What are the key properties of dicyclohexyl-[2-(2-methyl-3-phenylphenyl)phenoxy]-[2-[2-(oxan-2-yloxy)-3-phenylphenyl]phenoxy]silane?
dicyclohexyl-[2-(2-methyl-3-phenylphenyl)phenoxy]-[2-[2-(oxan-2-yloxy)-3-phenylphenyl]phenoxy]silane has a molecular weight of 799.14 g/mol, XLogP of 15.14, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl-[2-(2-methyl-3-phenylphenyl)phenoxy]-[2-[2-(oxan-2-yloxy)-3-phenylphenyl]phenoxy]silane is sourced from PubChem (CID 160674595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).