trimethoxy(3-phenylbut-3-enyl)silane

C13H20O3Si — CID 66830761

IUPACtrimethoxy(3-phenylbut-3-enyl)silane
SMILESC=C(CC[Si](OC)(OC)OC)c1ccccc1
InChIInChI=1S/C13H20O3Si/c1-12(13-8-6-5-7-9-13)10-11-17(14-2,15-3)16-4/h5-9H,1,10-11H2,2-4H3
InChIKeyJSESBKXUDGYDKW-UHFFFAOYSA-N
MW252.39 g/mol
LogP2.97
Rot. Bonds7

About trimethoxy(3-phenylbut-3-enyl)silane

trimethoxy(3-phenylbut-3-enyl)silane (PubChem CID 66830761) has the molecular formula C13H20O3Si and a molecular weight of 252.39 g/mol. Its IUPAC name is trimethoxy(3-phenylbut-3-enyl)silane.

Molecular Properties

Compound Nametrimethoxy(3-phenylbut-3-enyl)silane
PubChem CID66830761
Molecular FormulaC13H20O3Si
Molecular Weight252.39 g/mol
Exact Mass252.12
IUPAC Nametrimethoxy(3-phenylbut-3-enyl)silane
SMILESC=C(CC[Si](OC)(OC)OC)c1ccccc1
InChIInChI=1S/C13H20O3Si/c1-12(13-8-6-5-7-9-13)10-11-17(14-2,15-3)16-4/h5-9H,1,10-11H2,2-4H3
InChIKeyJSESBKXUDGYDKW-UHFFFAOYSA-N
XLogP2.97
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.39
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

pent-1-en-2-ylbenzene
CID 521761
1-methoxy-3-[5-(3-methoxyphenyl)hexa-1,5-dien-2-yl]benzene
CID 122403772
1-phenyl-3-(3-trimethoxysilylpropylamino)propan-1-one
CID 156782996
3-phenylbut-3-enoxysilane
CID 173347407
(2-methoxy-5-phenylhex-5-en-2-yl)benzene
CID 71382828
trimethyl(2-phenylprop-2-enyl)azanium
CID 10901234
3-phenylbut-3-enoxymethanol
CID 177419469
CID 101454794
CID 101454794
CID 136722619
CID 136722619
4-phenylpent-4-enoic acid;phosphenous acid
CID 175528610
N-(4-phenylpent-4-enyl)acetamide
CID 10798197
5-methylhept-1-en-2-ylbenzene
CID 90870775

Frequently Asked Questions

What is the IUPAC name of trimethoxy(3-phenylbut-3-enyl)silane?
The IUPAC name of trimethoxy(3-phenylbut-3-enyl)silane (CID 66830761) is trimethoxy(3-phenylbut-3-enyl)silane.
What is the SMILES notation for trimethoxy(3-phenylbut-3-enyl)silane?
The canonical SMILES for trimethoxy(3-phenylbut-3-enyl)silane is C=C(CC[Si](OC)(OC)OC)c1ccccc1.
What is the InChIKey of trimethoxy(3-phenylbut-3-enyl)silane?
The InChIKey is JSESBKXUDGYDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3Si/c1-12(13-8-6-5-7-9-13)10-11-17(14-2,15-3)16-4/h5-9H,1,10-11H2,2-4H3.
What are the key properties of trimethoxy(3-phenylbut-3-enyl)silane?
trimethoxy(3-phenylbut-3-enyl)silane has a molecular weight of 252.39 g/mol, XLogP of 2.97, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxy(3-phenylbut-3-enyl)silane is sourced from PubChem (CID 66830761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).