butan-2-yl-tert-butyl-hydroxy-methylsilane

C9H22OSi — CID 139986240

IUPACbutan-2-yl-tert-butyl-hydroxy-methylsilane
SMILESCCC(C)[Si](C)(O)C(C)(C)C
InChIInChI=1S/C9H22OSi/c1-7-8(2)11(6,10)9(3,4)5/h8,10H,7H2,1-6H3
InChIKeyBCHXOLBIZZHYFF-UHFFFAOYSA-N
MW174.36 g/mol
LogP3.15
Rot. Bonds2

About butan-2-yl-tert-butyl-hydroxy-methylsilane

butan-2-yl-tert-butyl-hydroxy-methylsilane (PubChem CID 139986240) has the molecular formula C9H22OSi and a molecular weight of 174.36 g/mol. Its IUPAC name is butan-2-yl-tert-butyl-hydroxy-methylsilane.

Molecular Properties

Compound Namebutan-2-yl-tert-butyl-hydroxy-methylsilane
PubChem CID139986240
Molecular FormulaC9H22OSi
Molecular Weight174.36 g/mol
Exact Mass174.14
IUPAC Namebutan-2-yl-tert-butyl-hydroxy-methylsilane
SMILESCCC(C)[Si](C)(O)C(C)(C)C
InChIInChI=1S/C9H22OSi/c1-7-8(2)11(6,10)9(3,4)5/h8,10H,7H2,1-6H3
InChIKeyBCHXOLBIZZHYFF-UHFFFAOYSA-N
XLogP3.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.36
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

butan-2-yl-dichloro-methylsilane
CID 24962724
(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethylbutan-1-ol
CID 10752078
di(butan-2-yl)-chloro-(2,3-dimethylbutan-2-yl)silane
CID 87874164
N-[butan-2-yl-tert-butyl-(dimethylamino)silyl]-N-ethylethanamine
CID 87335675
magnesium;tert-butyl-hydroxy-dimethylsilane;propane;hydrobromide
CID 173031792
hydroxy-dimethyl-(2-methylbutyl)silane
CID 57226261
tert-butyl-ethyl-dihydroxysilane
CID 87762514
tert-butyl-dimethyl-[(2S)-pent-4-yn-2-yl]silane
CID 124680544
butan-2-yloxy-tert-butyl-dimethylsilane;methane
CID 158755840
butan-2-yl-diethynyl-methylsilane
CID 54554607
2-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoic acid
CID 14412199
di(butan-2-yl)-hydroxy-phenylsilane
CID 139986252

Frequently Asked Questions

What is the IUPAC name of butan-2-yl-tert-butyl-hydroxy-methylsilane?
The IUPAC name of butan-2-yl-tert-butyl-hydroxy-methylsilane (CID 139986240) is butan-2-yl-tert-butyl-hydroxy-methylsilane.
What is the SMILES notation for butan-2-yl-tert-butyl-hydroxy-methylsilane?
The canonical SMILES for butan-2-yl-tert-butyl-hydroxy-methylsilane is CCC(C)[Si](C)(O)C(C)(C)C.
What is the InChIKey of butan-2-yl-tert-butyl-hydroxy-methylsilane?
The InChIKey is BCHXOLBIZZHYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22OSi/c1-7-8(2)11(6,10)9(3,4)5/h8,10H,7H2,1-6H3.
What are the key properties of butan-2-yl-tert-butyl-hydroxy-methylsilane?
butan-2-yl-tert-butyl-hydroxy-methylsilane has a molecular weight of 174.36 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl-tert-butyl-hydroxy-methylsilane is sourced from PubChem (CID 139986240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).