butan-2-yl-ethyl-hydroxy-phenylsilane

C12H20OSi — CID 139986235

IUPACbutan-2-yl-ethyl-hydroxy-phenylsilane
SMILESCCC(C)[Si](O)(CC)c1ccccc1
InChIInChI=1S/C12H20OSi/c1-4-11(3)14(13,5-2)12-9-7-6-8-10-12/h6-11,13H,4-5H2,1-3H3
InChIKeyGDDMQUPPOZRDCB-UHFFFAOYSA-N
MW208.38 g/mol
LogP2.65
Rot. Bonds4

About butan-2-yl-ethyl-hydroxy-phenylsilane

butan-2-yl-ethyl-hydroxy-phenylsilane (PubChem CID 139986235) has the molecular formula C12H20OSi and a molecular weight of 208.38 g/mol. Its IUPAC name is butan-2-yl-ethyl-hydroxy-phenylsilane.

Molecular Properties

Compound Namebutan-2-yl-ethyl-hydroxy-phenylsilane
PubChem CID139986235
Molecular FormulaC12H20OSi
Molecular Weight208.38 g/mol
Exact Mass208.13
IUPAC Namebutan-2-yl-ethyl-hydroxy-phenylsilane
SMILESCCC(C)[Si](O)(CC)c1ccccc1
InChIInChI=1S/C12H20OSi/c1-4-11(3)14(13,5-2)12-9-7-6-8-10-12/h6-11,13H,4-5H2,1-3H3
InChIKeyGDDMQUPPOZRDCB-UHFFFAOYSA-N
XLogP2.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.38
LogP ≤ 52.65
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

di(butan-2-yl)-hydroxy-phenylsilane
CID 139986252
butan-2-yl-dimethyl-phenylsilane
CID 102005826
3-[di(butan-2-yl)-hydroxysilyl]-N,N-diphenylaniline
CID 67965010
butan-2-yl-methoxy-methyl-triphenylsilylsilane
CID 58833873
1-dimethylsilyloxypropyl-hydroxy-diphenylsilane
CID 173463576
ethyl(triphenyl)silane
CID 5219688
hydroxy(triphenyl)silane;2-methylpropan-1-ol;titanium;dihydrate
CID 140942281
di(butan-2-yl)-bis[4-[methyl(diphenyl)silyl]-2-propan-2-ylcyclopenta-2,4-dien-1-yl]silane
CID 139672608
(amino-phenyl-propan-2-ylsilyl)benzene
CID 54544668
carbanide;di(butan-2-yl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;titanium(4+)
CID 173473985
[hydroxy-(2-methylpropyl)-phenylsilyl]methanamine
CID 152688298
hydroxy(triphenyl)silane
CID 139058622

Frequently Asked Questions

What is the IUPAC name of butan-2-yl-ethyl-hydroxy-phenylsilane?
The IUPAC name of butan-2-yl-ethyl-hydroxy-phenylsilane (CID 139986235) is butan-2-yl-ethyl-hydroxy-phenylsilane.
What is the SMILES notation for butan-2-yl-ethyl-hydroxy-phenylsilane?
The canonical SMILES for butan-2-yl-ethyl-hydroxy-phenylsilane is CCC(C)[Si](O)(CC)c1ccccc1.
What is the InChIKey of butan-2-yl-ethyl-hydroxy-phenylsilane?
The InChIKey is GDDMQUPPOZRDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20OSi/c1-4-11(3)14(13,5-2)12-9-7-6-8-10-12/h6-11,13H,4-5H2,1-3H3.
What are the key properties of butan-2-yl-ethyl-hydroxy-phenylsilane?
butan-2-yl-ethyl-hydroxy-phenylsilane has a molecular weight of 208.38 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl-ethyl-hydroxy-phenylsilane is sourced from PubChem (CID 139986235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).