1-(but-3-enyl-methyl-phenylsilyl)-3-methylbutan-1-ol

C16H26OSi — CID 22967163

IUPAC1-(but-3-enyl-methyl-phenylsilyl)-3-methylbutan-1-ol
SMILESC=CCC[Si](C)(c1ccccc1)C(O)CC(C)C
InChIInChI=1S/C16H26OSi/c1-5-6-12-18(4,16(17)13-14(2)3)15-10-8-7-9-11-15/h5,7-11,14,16-17H,1,6,12-13H2,2-4H3
InChIKeyLLXXVUKDUKTMIK-UHFFFAOYSA-N
MW262.47 g/mol
LogP3.49
Rot. Bonds7

About 1-(but-3-enyl-methyl-phenylsilyl)-3-methylbutan-1-ol

1-(but-3-enyl-methyl-phenylsilyl)-3-methylbutan-1-ol (PubChem CID 22967163) has the molecular formula C16H26OSi and a molecular weight of 262.47 g/mol. Its IUPAC name is 1-(but-3-enyl-methyl-phenylsilyl)-3-methylbutan-1-ol.

Molecular Properties

Compound Name1-(but-3-enyl-methyl-phenylsilyl)-3-methylbutan-1-ol
PubChem CID22967163
Molecular FormulaC16H26OSi
Molecular Weight262.47 g/mol
Exact Mass262.18
IUPAC Name1-(but-3-enyl-methyl-phenylsilyl)-3-methylbutan-1-ol
SMILESC=CCC[Si](C)(c1ccccc1)C(O)CC(C)C
InChIInChI=1S/C16H26OSi/c1-5-6-12-18(4,16(17)13-14(2)3)15-10-8-7-9-11-15/h5,7-11,14,16-17H,1,6,12-13H2,2-4H3
InChIKeyLLXXVUKDUKTMIK-UHFFFAOYSA-N
XLogP3.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.47
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

but-3-enyl-methyl-phenyl-prop-2-enylsilane
CID 175181643
but-3-enyl(trimethyl)silane;ethenyl-dimethyl-phenylsilane
CID 175590595
but-3-enyl-methyl-[2-(2-methylpropyl)-1,3-dithian-2-yl]-phenylsilane
CID 22967180
but-3-enyl-[(1E)-3-methylbuta-1,3-dienyl]-diphenylsilane
CID 10709670
1,4,4-tris[dimethyl(phenyl)silyl]butan-1-ol
CID 10766972
dimethyl-[(2S)-pent-4-en-2-yl]-phenylsilane
CID 134970098
but-3-enyl-penta-1,4-dien-3-yloxy-diphenylsilane
CID 140727695
chloro-hex-5-enyl-methyl-phenylsilane
CID 54080342
(2S,4R)-4-[diphenyl(prop-2-enyl)silyl]hex-5-en-2-ol
CID 11834255
3-[(1-benzamido-3-methylbutyl)-methyl-phenylsilyl]propanoic acid
CID 22967170
chloro-methyl-oct-7-enyl-phenylsilane
CID 54527858
[(2Z)-hepta-2,6-dienyl]-dimethyl-phenylsilane
CID 12992255

Frequently Asked Questions

What is the IUPAC name of 1-(but-3-enyl-methyl-phenylsilyl)-3-methylbutan-1-ol?
The IUPAC name of 1-(but-3-enyl-methyl-phenylsilyl)-3-methylbutan-1-ol (CID 22967163) is 1-(but-3-enyl-methyl-phenylsilyl)-3-methylbutan-1-ol.
What is the SMILES notation for 1-(but-3-enyl-methyl-phenylsilyl)-3-methylbutan-1-ol?
The canonical SMILES for 1-(but-3-enyl-methyl-phenylsilyl)-3-methylbutan-1-ol is C=CCC[Si](C)(c1ccccc1)C(O)CC(C)C.
What is the InChIKey of 1-(but-3-enyl-methyl-phenylsilyl)-3-methylbutan-1-ol?
The InChIKey is LLXXVUKDUKTMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26OSi/c1-5-6-12-18(4,16(17)13-14(2)3)15-10-8-7-9-11-15/h5,7-11,14,16-17H,1,6,12-13H2,2-4H3.
What are the key properties of 1-(but-3-enyl-methyl-phenylsilyl)-3-methylbutan-1-ol?
1-(but-3-enyl-methyl-phenylsilyl)-3-methylbutan-1-ol has a molecular weight of 262.47 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(but-3-enyl-methyl-phenylsilyl)-3-methylbutan-1-ol is sourced from PubChem (CID 22967163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).