(1,1-dimethoxy-4-phenylbut-3-enyl)silane

C12H18O2Si — CID 174155985

IUPAC(1,1-dimethoxy-4-phenylbut-3-enyl)silane
SMILESCOC([SiH3])(CC=Cc1ccccc1)OC
InChIInChI=1S/C12H18O2Si/c1-13-12(15,14-2)10-6-9-11-7-4-3-5-8-11/h3-9H,10H2,1-2,15H3
InChIKeyBYABTZHBGVGMJX-UHFFFAOYSA-N
MW222.36 g/mol
LogP1.40
Rot. Bonds5

About (1,1-dimethoxy-4-phenylbut-3-enyl)silane

(1,1-dimethoxy-4-phenylbut-3-enyl)silane (PubChem CID 174155985) has the molecular formula C12H18O2Si and a molecular weight of 222.36 g/mol. Its IUPAC name is (1,1-dimethoxy-4-phenylbut-3-enyl)silane.

Molecular Properties

Compound Name(1,1-dimethoxy-4-phenylbut-3-enyl)silane
PubChem CID174155985
Molecular FormulaC12H18O2Si
Molecular Weight222.36 g/mol
Exact Mass222.11
IUPAC Name(1,1-dimethoxy-4-phenylbut-3-enyl)silane
SMILESCOC([SiH3])(CC=Cc1ccccc1)OC
InChIInChI=1S/C12H18O2Si/c1-13-12(15,14-2)10-6-9-11-7-4-3-5-8-11/h3-9H,10H2,1-2,15H3
InChIKeyBYABTZHBGVGMJX-UHFFFAOYSA-N
XLogP1.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.36
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[(E)-4,4,4-tris(methylsulfanyl)but-1-enyl]benzene
CID 15833819
[(E)-2-methyl-5-phenylpent-4-en-2-yl]benzene
CID 5370792
[(E)-4,4-bis(methoxymethyl)-5-methylhex-1-enyl]benzene
CID 19985308
[(1E)-5-phenylpenta-1,4-dienyl]benzene
CID 91021368
[(E)-4-isocyano-4-methylpent-1-enyl]benzene
CID 58555273
benzene;but-1-enylbenzene
CID 157481332
11,11,11-trimethoxyundec-1-enylbenzene
CID 151728139
dimethoxy(3-phenylprop-2-enyl)silane
CID 123834547
[(E)-4-methyl-4-nitropent-1-enyl]benzene
CID 12811933
ethane;[(1E,5Z)-hepta-1,5-dienyl]benzene;methoxymethane
CID 143006426
CID 70569152
CID 70569152
CID 70567885
CID 70567885

Frequently Asked Questions

What is the IUPAC name of (1,1-dimethoxy-4-phenylbut-3-enyl)silane?
The IUPAC name of (1,1-dimethoxy-4-phenylbut-3-enyl)silane (CID 174155985) is (1,1-dimethoxy-4-phenylbut-3-enyl)silane.
What is the SMILES notation for (1,1-dimethoxy-4-phenylbut-3-enyl)silane?
The canonical SMILES for (1,1-dimethoxy-4-phenylbut-3-enyl)silane is COC([SiH3])(CC=Cc1ccccc1)OC.
What is the InChIKey of (1,1-dimethoxy-4-phenylbut-3-enyl)silane?
The InChIKey is BYABTZHBGVGMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2Si/c1-13-12(15,14-2)10-6-9-11-7-4-3-5-8-11/h3-9H,10H2,1-2,15H3.
What are the key properties of (1,1-dimethoxy-4-phenylbut-3-enyl)silane?
(1,1-dimethoxy-4-phenylbut-3-enyl)silane has a molecular weight of 222.36 g/mol, XLogP of 1.40, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dimethoxy-4-phenylbut-3-enyl)silane is sourced from PubChem (CID 174155985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).