bis(1-tert-butylcyclopentyl)-diethoxysilane;bis(2,3-dimethylcyclopentyl)-diethoxysilane

C40H80O4Si2 — CID 23287446

IUPACbis(1-tert-butylcyclopentyl)-diethoxysilane;bis(2,3-dimethylcyclopentyl)-diethoxysilane
SMILESCCO[Si](OCC)(C1(C(C)(C)C)CCCC1)C1(C(C)(C)C)CCCC1.CCO[Si](OCC)(C1CCC(C)C1C)C1CCC(C)C1C
InChIInChI=1S/C22H44O2Si.C18H36O2Si/c1-9-23-25(24-10-2,21(19(3,4)5)15-11-12-16-21)22(20(6,7)8)17-13-14-18-22;1-7-19-21(20-8-2,17-11-9-13(3)15(17)5)18-12-10-14(4)16(18)6/h9-18H2,1-8H3;13-18H,7-12H2,1-6H3
InChIKeyJIYXDPOWGMNSOV-UHFFFAOYSA-N
MW681.25 g/mol
LogP12.60
Rot. Bonds12

About bis(1-tert-butylcyclopentyl)-diethoxysilane;bis(2,3-dimethylcyclopentyl)-diethoxysilane

bis(1-tert-butylcyclopentyl)-diethoxysilane;bis(2,3-dimethylcyclopentyl)-diethoxysilane (PubChem CID 23287446) has the molecular formula C40H80O4Si2 and a molecular weight of 681.25 g/mol. Its IUPAC name is bis(1-tert-butylcyclopentyl)-diethoxysilane;bis(2,3-dimethylcyclopentyl)-diethoxysilane.

Molecular Properties

Compound Namebis(1-tert-butylcyclopentyl)-diethoxysilane;bis(2,3-dimethylcyclopentyl)-diethoxysilane
PubChem CID23287446
Molecular FormulaC40H80O4Si2
Molecular Weight681.25 g/mol
Exact Mass680.56
IUPAC Namebis(1-tert-butylcyclopentyl)-diethoxysilane;bis(2,3-dimethylcyclopentyl)-diethoxysilane
SMILESCCO[Si](OCC)(C1(C(C)(C)C)CCCC1)C1(C(C)(C)C)CCCC1.CCO[Si](OCC)(C1CCC(C)C1C)C1CCC(C)C1C
InChIInChI=1S/C22H44O2Si.C18H36O2Si/c1-9-23-25(24-10-2,21(19(3,4)5)15-11-12-16-21)22(20(6,7)8)17-13-14-18-22;1-7-19-21(20-8-2,17-11-9-13(3)15(17)5)18-12-10-14(4)16(18)6/h9-18H2,1-8H3;13-18H,7-12H2,1-6H3
InChIKeyJIYXDPOWGMNSOV-UHFFFAOYSA-N
XLogP12.60
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500681.25
LogP ≤ 512.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis(2,3-dimethylcyclopentyl)-diethoxysilane
CID 23287447
bis(2-tert-butylcyclohexyl)-diethoxysilane
CID 139904142
triethoxy-(2-methylcyclopentyl)silane
CID 59910277
cyclononyl-cyclopropyl-diethoxysilane
CID 139768397
cyclobutyl-diethoxy-(3-methylcyclobutyl)silane
CID 139843913
triethoxy-[(1S,2S)-2-methylcyclopropyl]silane
CID 102422600
cis-(1S,3R)-1,2,3-trimethylcyclopentane
CID 6427077
N-(2,3-dimethylcyclohexyl)-3-ethoxyspiro[3.3]heptan-1-amine
CID 65295084
3-(3,4-dimethylcyclohexyl)oxy-1-(ethylamino)cyclohexane-1-carbonitrile
CID 79636159
tert-butyl (2R,6R)-2-cyano-2-ethyl-6-methylpiperidine-1-carboxylate
CID 102209671
ethane;(1-methylcyclohexyl) cyanate;propane
CID 142970987
3-ethoxy-N-(2-methylcyclopentyl)spiro[3.5]nonan-1-amine
CID 65169819

Frequently Asked Questions

What is the IUPAC name of bis(1-tert-butylcyclopentyl)-diethoxysilane;bis(2,3-dimethylcyclopentyl)-diethoxysilane?
The IUPAC name of bis(1-tert-butylcyclopentyl)-diethoxysilane;bis(2,3-dimethylcyclopentyl)-diethoxysilane (CID 23287446) is bis(1-tert-butylcyclopentyl)-diethoxysilane;bis(2,3-dimethylcyclopentyl)-diethoxysilane.
What is the SMILES notation for bis(1-tert-butylcyclopentyl)-diethoxysilane;bis(2,3-dimethylcyclopentyl)-diethoxysilane?
The canonical SMILES for bis(1-tert-butylcyclopentyl)-diethoxysilane;bis(2,3-dimethylcyclopentyl)-diethoxysilane is CCO[Si](OCC)(C1(C(C)(C)C)CCCC1)C1(C(C)(C)C)CCCC1.CCO[Si](OCC)(C1CCC(C)C1C)C1CCC(C)C1C.
What is the InChIKey of bis(1-tert-butylcyclopentyl)-diethoxysilane;bis(2,3-dimethylcyclopentyl)-diethoxysilane?
The InChIKey is JIYXDPOWGMNSOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44O2Si.C18H36O2Si/c1-9-23-25(24-10-2,21(19(3,4)5)15-11-12-16-21)22(20(6,7)8)17-13-14-18-22;1-7-19-21(20-8-2,17-11-9-13(3)15(17)5)18-12-10-14(4)16(18)6/h9-18H2,1-8H3;13-18H,7-12H2,1-6H3.
What are the key properties of bis(1-tert-butylcyclopentyl)-diethoxysilane;bis(2,3-dimethylcyclopentyl)-diethoxysilane?
bis(1-tert-butylcyclopentyl)-diethoxysilane;bis(2,3-dimethylcyclopentyl)-diethoxysilane has a molecular weight of 681.25 g/mol, XLogP of 12.60, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-tert-butylcyclopentyl)-diethoxysilane;bis(2,3-dimethylcyclopentyl)-diethoxysilane is sourced from PubChem (CID 23287446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).