cyclohexylmethyl-ethenyl-[2,4,5-tris[[cyclohexylmethyl(ethenyl)silyl]oxy]phenoxy]silane

C42H70O4Si4 — CID 159675154

IUPACcyclohexylmethyl-ethenyl-[2,4,5-tris[[cyclohexylmethyl(ethenyl)silyl]oxy]phenoxy]silane
SMILESC=C[SiH](CC1CCCCC1)Oc1cc(O[SiH](C=C)CC2CCCCC2)c(O[SiH](C=C)CC2CCCCC2)cc1O[SiH](C=C)CC1CCCCC1
InChIInChI=1S/C42H70O4Si4/c1-5-47(31-35-21-13-9-14-22-35)43-39-29-41(45-49(7-3)33-37-25-17-11-18-26-37)42(46-50(8-4)34-38-27-19-12-20-28-38)30-40(39)44-48(6-2)32-36-23-15-10-16-24-36/h5-8,29-30,35-38,47-50H,1-4,9-28,31-34H2
InChIKeyMUMUTYMNXZWNPK-UHFFFAOYSA-N
MW751.36 g/mol
LogP11.32
Rot. Bonds20

About cyclohexylmethyl-ethenyl-[2,4,5-tris[[cyclohexylmethyl(ethenyl)silyl]oxy]phenoxy]silane

cyclohexylmethyl-ethenyl-[2,4,5-tris[[cyclohexylmethyl(ethenyl)silyl]oxy]phenoxy]silane (PubChem CID 159675154) has the molecular formula C42H70O4Si4 and a molecular weight of 751.36 g/mol. Its IUPAC name is cyclohexylmethyl-ethenyl-[2,4,5-tris[[cyclohexylmethyl(ethenyl)silyl]oxy]phenoxy]silane.

Molecular Properties

Compound Namecyclohexylmethyl-ethenyl-[2,4,5-tris[[cyclohexylmethyl(ethenyl)silyl]oxy]phenoxy]silane
PubChem CID159675154
Molecular FormulaC42H70O4Si4
Molecular Weight751.36 g/mol
Exact Mass750.44
IUPAC Namecyclohexylmethyl-ethenyl-[2,4,5-tris[[cyclohexylmethyl(ethenyl)silyl]oxy]phenoxy]silane
SMILESC=C[SiH](CC1CCCCC1)Oc1cc(O[SiH](C=C)CC2CCCCC2)c(O[SiH](C=C)CC2CCCCC2)cc1O[SiH](C=C)CC1CCCCC1
InChIInChI=1S/C42H70O4Si4/c1-5-47(31-35-21-13-9-14-22-35)43-39-29-41(45-49(7-3)33-37-25-17-11-18-26-37)42(46-50(8-4)34-38-27-19-12-20-28-38)30-40(39)44-48(6-2)32-36-23-15-10-16-24-36/h5-8,29-30,35-38,47-50H,1-4,9-28,31-34H2
InChIKeyMUMUTYMNXZWNPK-UHFFFAOYSA-N
XLogP11.32
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500751.36
LogP ≤ 511.32
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 cyclohexylmethyl-ethenyl-[2,4,5-tris[[cyclohexylmethyl(ethenyl)silyl]oxy]phenoxy]silane?
The IUPAC name of cyclohexylmethyl-ethenyl-[2,4,5-tris[[cyclohexylmethyl(ethenyl)silyl]oxy]phenoxy]silane (CID 159675154) is cyclohexylmethyl-ethenyl-[2,4,5-tris[[cyclohexylmethyl(ethenyl)silyl]oxy]phenoxy]silane.
What is the SMILES notation for cyclohexylmethyl-ethenyl-[2,4,5-tris[[cyclohexylmethyl(ethenyl)silyl]oxy]phenoxy]silane?
The canonical SMILES for cyclohexylmethyl-ethenyl-[2,4,5-tris[[cyclohexylmethyl(ethenyl)silyl]oxy]phenoxy]silane is C=C[SiH](CC1CCCCC1)Oc1cc(O[SiH](C=C)CC2CCCCC2)c(O[SiH](C=C)CC2CCCCC2)cc1O[SiH](C=C)CC1CCCCC1.
What is the InChIKey of cyclohexylmethyl-ethenyl-[2,4,5-tris[[cyclohexylmethyl(ethenyl)silyl]oxy]phenoxy]silane?
The InChIKey is MUMUTYMNXZWNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H70O4Si4/c1-5-47(31-35-21-13-9-14-22-35)43-39-29-41(45-49(7-3)33-37-25-17-11-18-26-37)42(46-50(8-4)34-38-27-19-12-20-28-38)30-40(39)44-48(6-2)32-36-23-15-10-16-24-36/h5-8,29-30,35-38,47-50H,1-4,9-28,31-34H2.
What are the key properties of cyclohexylmethyl-ethenyl-[2,4,5-tris[[cyclohexylmethyl(ethenyl)silyl]oxy]phenoxy]silane?
cyclohexylmethyl-ethenyl-[2,4,5-tris[[cyclohexylmethyl(ethenyl)silyl]oxy]phenoxy]silane has a molecular weight of 751.36 g/mol, XLogP of 11.32, 20 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethyl-ethenyl-[2,4,5-tris[[cyclohexylmethyl(ethenyl)silyl]oxy]phenoxy]silane is sourced from PubChem (CID 159675154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).