(4-butan-2-ylphenyl)-[butyl(dimethyl)silyl]oxy-dimethylsilane

C18H34OSi2 — CID 20652808

IUPAC(4-butan-2-ylphenyl)-[butyl(dimethyl)silyl]oxy-dimethylsilane
SMILESCCCC[Si](C)(C)O[Si](C)(C)c1ccc(C(C)CC)cc1
InChIInChI=1S/C18H34OSi2/c1-8-10-15-20(4,5)19-21(6,7)18-13-11-17(12-14-18)16(3)9-2/h11-14,16H,8-10,15H2,1-7H3
InChIKeyILBJKSXMYZGHIU-UHFFFAOYSA-N
MW322.64 g/mol
LogP5.63
Rot. Bonds8

About (4-butan-2-ylphenyl)-[butyl(dimethyl)silyl]oxy-dimethylsilane

(4-butan-2-ylphenyl)-[butyl(dimethyl)silyl]oxy-dimethylsilane (PubChem CID 20652808) has the molecular formula C18H34OSi2 and a molecular weight of 322.64 g/mol. Its IUPAC name is (4-butan-2-ylphenyl)-[butyl(dimethyl)silyl]oxy-dimethylsilane.

Molecular Properties

Compound Name(4-butan-2-ylphenyl)-[butyl(dimethyl)silyl]oxy-dimethylsilane
PubChem CID20652808
Molecular FormulaC18H34OSi2
Molecular Weight322.64 g/mol
Exact Mass322.21
IUPAC Name(4-butan-2-ylphenyl)-[butyl(dimethyl)silyl]oxy-dimethylsilane
SMILESCCCC[Si](C)(C)O[Si](C)(C)c1ccc(C(C)CC)cc1
InChIInChI=1S/C18H34OSi2/c1-8-10-15-20(4,5)19-21(6,7)18-13-11-17(12-14-18)16(3)9-2/h11-14,16H,8-10,15H2,1-7H3
InChIKeyILBJKSXMYZGHIU-UHFFFAOYSA-N
XLogP5.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.64
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

bis(4-butan-2-ylphenyl)-dihydroxysilane
CID 67121260
butan-2-ylbenzene;(4-butan-2-ylphenyl)-trimethylsilane
CID 161102550
bis[4-(1-bromoethyl)phenyl]-dibutylsilane
CID 67594782
1-butan-2-yl-4-octan-4-ylbenzene
CID 123736908
4-[4-[[[[dimethyl(pentyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]phenyl]benzonitrile
CID 139630716
4-[4-[[[[hexyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]phenyl]benzonitrile
CID 139630672
1-butan-2-yl-4-(1-butoxyethoxy)benzene
CID 18739256
1-butan-2-yl-4-methylbenzene;formaldehyde;heptane
CID 142152659
1-butan-2-yl-4-didodecoxyphosphorylbenzene
CID 166057617
1-(1-bromononyl)-4-butan-2-ylbenzene
CID 65426772
potassium;(4-butan-2-ylbenzoyl)-(trifluoromethylsulfonyl)azanide;3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl 2,2-dimethylbutanoate;2-(2-ethoxyethoxy)ethyl 2-methylbutanoate;methane
CID 158125382
1-butan-2-yl-4-(heptan-2-yloxymethyl)benzene
CID 134215652

Frequently Asked Questions

What is the IUPAC name of (4-butan-2-ylphenyl)-[butyl(dimethyl)silyl]oxy-dimethylsilane?
The IUPAC name of (4-butan-2-ylphenyl)-[butyl(dimethyl)silyl]oxy-dimethylsilane (CID 20652808) is (4-butan-2-ylphenyl)-[butyl(dimethyl)silyl]oxy-dimethylsilane.
What is the SMILES notation for (4-butan-2-ylphenyl)-[butyl(dimethyl)silyl]oxy-dimethylsilane?
The canonical SMILES for (4-butan-2-ylphenyl)-[butyl(dimethyl)silyl]oxy-dimethylsilane is CCCC[Si](C)(C)O[Si](C)(C)c1ccc(C(C)CC)cc1.
What is the InChIKey of (4-butan-2-ylphenyl)-[butyl(dimethyl)silyl]oxy-dimethylsilane?
The InChIKey is ILBJKSXMYZGHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34OSi2/c1-8-10-15-20(4,5)19-21(6,7)18-13-11-17(12-14-18)16(3)9-2/h11-14,16H,8-10,15H2,1-7H3.
What are the key properties of (4-butan-2-ylphenyl)-[butyl(dimethyl)silyl]oxy-dimethylsilane?
(4-butan-2-ylphenyl)-[butyl(dimethyl)silyl]oxy-dimethylsilane has a molecular weight of 322.64 g/mol, XLogP of 5.63, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butan-2-ylphenyl)-[butyl(dimethyl)silyl]oxy-dimethylsilane is sourced from PubChem (CID 20652808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).