tert-butyl-dimethyl-[2-[4-(2-trimethoxysilylethyl)cyclohexyl]cyclopentyl]silane

C22H46O3Si2 — CID 68577690

IUPACtert-butyl-dimethyl-[2-[4-(2-trimethoxysilylethyl)cyclohexyl]cyclopentyl]silane
SMILESCO[Si](CCC1CCC(C2CCCC2[Si](C)(C)C(C)(C)C)CC1)(OC)OC
InChIInChI=1S/C22H46O3Si2/c1-22(2,3)26(7,8)21-11-9-10-20(21)19-14-12-18(13-15-19)16-17-27(23-4,24-5)25-6/h18-21H,9-17H2,1-8H3
InChIKeyGIMOZXZJHKVTLI-UHFFFAOYSA-N
MW414.78 g/mol
LogP6.74
Rot. Bonds8

About tert-butyl-dimethyl-[2-[4-(2-trimethoxysilylethyl)cyclohexyl]cyclopentyl]silane

tert-butyl-dimethyl-[2-[4-(2-trimethoxysilylethyl)cyclohexyl]cyclopentyl]silane (PubChem CID 68577690) has the molecular formula C22H46O3Si2 and a molecular weight of 414.78 g/mol. Its IUPAC name is tert-butyl-dimethyl-[2-[4-(2-trimethoxysilylethyl)cyclohexyl]cyclopentyl]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[2-[4-(2-trimethoxysilylethyl)cyclohexyl]cyclopentyl]silane
PubChem CID68577690
Molecular FormulaC22H46O3Si2
Molecular Weight414.78 g/mol
Exact Mass414.30
IUPAC Nametert-butyl-dimethyl-[2-[4-(2-trimethoxysilylethyl)cyclohexyl]cyclopentyl]silane
SMILESCO[Si](CCC1CCC(C2CCCC2[Si](C)(C)C(C)(C)C)CC1)(OC)OC
InChIInChI=1S/C22H46O3Si2/c1-22(2,3)26(7,8)21-11-9-10-20(21)19-14-12-18(13-15-19)16-17-27(23-4,24-5)25-6/h18-21H,9-17H2,1-8H3
InChIKeyGIMOZXZJHKVTLI-UHFFFAOYSA-N
XLogP6.74
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.78
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 tert-butyl-dimethyl-[2-[4-(2-trimethoxysilylethyl)cyclohexyl]cyclopentyl]silane?
The IUPAC name of tert-butyl-dimethyl-[2-[4-(2-trimethoxysilylethyl)cyclohexyl]cyclopentyl]silane (CID 68577690) is tert-butyl-dimethyl-[2-[4-(2-trimethoxysilylethyl)cyclohexyl]cyclopentyl]silane.
What is the SMILES notation for tert-butyl-dimethyl-[2-[4-(2-trimethoxysilylethyl)cyclohexyl]cyclopentyl]silane?
The canonical SMILES for tert-butyl-dimethyl-[2-[4-(2-trimethoxysilylethyl)cyclohexyl]cyclopentyl]silane is CO[Si](CCC1CCC(C2CCCC2[Si](C)(C)C(C)(C)C)CC1)(OC)OC.
What is the InChIKey of tert-butyl-dimethyl-[2-[4-(2-trimethoxysilylethyl)cyclohexyl]cyclopentyl]silane?
The InChIKey is GIMOZXZJHKVTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46O3Si2/c1-22(2,3)26(7,8)21-11-9-10-20(21)19-14-12-18(13-15-19)16-17-27(23-4,24-5)25-6/h18-21H,9-17H2,1-8H3.
What are the key properties of tert-butyl-dimethyl-[2-[4-(2-trimethoxysilylethyl)cyclohexyl]cyclopentyl]silane?
tert-butyl-dimethyl-[2-[4-(2-trimethoxysilylethyl)cyclohexyl]cyclopentyl]silane has a molecular weight of 414.78 g/mol, XLogP of 6.74, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[2-[4-(2-trimethoxysilylethyl)cyclohexyl]cyclopentyl]silane is sourced from PubChem (CID 68577690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).