[(1Z)-3,3-dimethyl-1-phenylmethoxypenta-1,4-dien-2-yl]oxy-trimethylsilane

C17H26O2Si — CID 46899660

IUPAC[(1Z)-3,3-dimethyl-1-phenylmethoxypenta-1,4-dien-2-yl]oxy-trimethylsilane
SMILESC=CC(C)(C)/C(=C/OCc1ccccc1)O[Si](C)(C)C
InChIInChI=1S/C17H26O2Si/c1-7-17(2,3)16(19-20(4,5)6)14-18-13-15-11-9-8-10-12-15/h7-12,14H,1,13H2,2-6H3/b16-14-
InChIKeyREPKZMBOLNSGGQ-PEZBUJJGSA-N
MW290.48 g/mol
LogP5.11
Rot. Bonds7

About [(1Z)-3,3-dimethyl-1-phenylmethoxypenta-1,4-dien-2-yl]oxy-trimethylsilane

[(1Z)-3,3-dimethyl-1-phenylmethoxypenta-1,4-dien-2-yl]oxy-trimethylsilane (PubChem CID 46899660) has the molecular formula C17H26O2Si and a molecular weight of 290.48 g/mol. Its IUPAC name is [(1Z)-3,3-dimethyl-1-phenylmethoxypenta-1,4-dien-2-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(1Z)-3,3-dimethyl-1-phenylmethoxypenta-1,4-dien-2-yl]oxy-trimethylsilane
PubChem CID46899660
Molecular FormulaC17H26O2Si
Molecular Weight290.48 g/mol
Exact Mass290.17
IUPAC Name[(1Z)-3,3-dimethyl-1-phenylmethoxypenta-1,4-dien-2-yl]oxy-trimethylsilane
SMILESC=CC(C)(C)/C(=C/OCc1ccccc1)O[Si](C)(C)C
InChIInChI=1S/C17H26O2Si/c1-7-17(2,3)16(19-20(4,5)6)14-18-13-15-11-9-8-10-12-15/h7-12,14H,1,13H2,2-6H3/b16-14-
InChIKeyREPKZMBOLNSGGQ-PEZBUJJGSA-N
XLogP5.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.48
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [(1Z)-3,3-dimethyl-1-phenylmethoxypenta-1,4-dien-2-yl]oxy-trimethylsilane with MolForge

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Related Compounds

trimethyl-[(E)-2-phenylmethoxy-1-trimethylsilylethenoxy]silane
CID 14938849
trimethyl-[(1Z,3E)-4-[(2-methylpropan-2-yl)oxy]-1-phenylmethoxybuta-1,3-dien-2-yl]oxysilane
CID 11484052
trimethyl-[(1E,3Z)-2-methyl-1-phenylmethoxypenta-1,3-dien-3-yl]oxysilane
CID 10934722
ethane;ethenoxymethylbenzene
CID 144676673
ethenoxymethylbenzene
CID 11116115
2,2-difluoroethenoxymethylbenzene
CID 53483110
trimethyl-[(2E,4Z)-1,1,1-trifluoro-6-phenyl-4-trimethylsilyloxyhexa-2,4-dien-2-yl]oxysilane
CID 177391977
[(1Z,3E)-5,5-dimethylhexa-1,3-dienoxy]methylbenzene
CID 122393351
tert-butyl-dimethyl-(2-phenylmethoxyethenoxy)silane
CID 10468367
2-methyl-N-phenylmethoxybut-3-en-2-amine
CID 101441641
[(E)-3-ethylsulfanyl-4-phenylmethoxybut-3-enyl]-trimethylsilane
CID 134932720
trimethyl-[(E)-1-[(2-methylpropan-2-yl)oxy]-3-phenylprop-1-enoxy]silane
CID 71271588

Frequently Asked Questions

What is the IUPAC name of [(1Z)-3,3-dimethyl-1-phenylmethoxypenta-1,4-dien-2-yl]oxy-trimethylsilane?
The IUPAC name of [(1Z)-3,3-dimethyl-1-phenylmethoxypenta-1,4-dien-2-yl]oxy-trimethylsilane (CID 46899660) is [(1Z)-3,3-dimethyl-1-phenylmethoxypenta-1,4-dien-2-yl]oxy-trimethylsilane.
What is the SMILES notation for [(1Z)-3,3-dimethyl-1-phenylmethoxypenta-1,4-dien-2-yl]oxy-trimethylsilane?
The canonical SMILES for [(1Z)-3,3-dimethyl-1-phenylmethoxypenta-1,4-dien-2-yl]oxy-trimethylsilane is C=CC(C)(C)/C(=C/OCc1ccccc1)O[Si](C)(C)C.
What is the InChIKey of [(1Z)-3,3-dimethyl-1-phenylmethoxypenta-1,4-dien-2-yl]oxy-trimethylsilane?
The InChIKey is REPKZMBOLNSGGQ-PEZBUJJGSA-N. The full InChI is InChI=1S/C17H26O2Si/c1-7-17(2,3)16(19-20(4,5)6)14-18-13-15-11-9-8-10-12-15/h7-12,14H,1,13H2,2-6H3/b16-14-.
What are the key properties of [(1Z)-3,3-dimethyl-1-phenylmethoxypenta-1,4-dien-2-yl]oxy-trimethylsilane?
[(1Z)-3,3-dimethyl-1-phenylmethoxypenta-1,4-dien-2-yl]oxy-trimethylsilane has a molecular weight of 290.48 g/mol, XLogP of 5.11, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1Z)-3,3-dimethyl-1-phenylmethoxypenta-1,4-dien-2-yl]oxy-trimethylsilane is sourced from PubChem (CID 46899660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).