ditert-butyl-[(E)-hex-2-enyl]-phenylmethoxysilane

C21H36OSi — CID 10640363

IUPACditert-butyl-[(E)-hex-2-enyl]-phenylmethoxysilane
SMILESCCC/C=C/C[Si](OCc1ccccc1)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C21H36OSi/c1-8-9-10-14-17-23(20(2,3)4,21(5,6)7)22-18-19-15-12-11-13-16-19/h10-16H,8-9,17-18H2,1-7H3/b14-10+
InChIKeyAGVYKNXYNPZYGH-GXDHUFHOSA-N
MW332.60 g/mol
LogP7.11
Rot. Bonds7

About ditert-butyl-[(E)-hex-2-enyl]-phenylmethoxysilane

ditert-butyl-[(E)-hex-2-enyl]-phenylmethoxysilane (PubChem CID 10640363) has the molecular formula C21H36OSi and a molecular weight of 332.60 g/mol. Its IUPAC name is ditert-butyl-[(E)-hex-2-enyl]-phenylmethoxysilane.

Molecular Properties

Compound Nameditert-butyl-[(E)-hex-2-enyl]-phenylmethoxysilane
PubChem CID10640363
Molecular FormulaC21H36OSi
Molecular Weight332.60 g/mol
Exact Mass332.25
IUPAC Nameditert-butyl-[(E)-hex-2-enyl]-phenylmethoxysilane
SMILESCCC/C=C/C[Si](OCc1ccccc1)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C21H36OSi/c1-8-9-10-14-17-23(20(2,3)4,21(5,6)7)22-18-19-15-12-11-13-16-19/h10-16H,8-9,17-18H2,1-7H3/b14-10+
InChIKeyAGVYKNXYNPZYGH-GXDHUFHOSA-N
XLogP7.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.60
LogP ≤ 57.11
H-Bond Donors ≤ 50
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

benzyl (E)-2-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate
CID 132540362
[(E)-hex-2-enyl]-phenylmethoxyphosphinous acid
CID 11521542
benzyl hex-2-enoate
CID 3828590
tert-butyl-(deuteriomethyl)-methyl-phenylmethoxysilane
CID 11075026
[dimethyl(phenylmethoxy)silyl]-dimethyl-phenylmethoxysilane
CID 122390152
benzyl triethyl silicate
CID 14245028
[[(E)-hex-2-enyl]-phenylmethoxyphosphoryl]methanamine
CID 129383395
(E)-1-phenylmethoxyhept-3-en-2-ol
CID 134897437
tert-butyl-dimethyl-(2-phenylmethoxyethenoxy)silane
CID 10468367
[(E)-but-2-enyl]-diphenyl-phenylmethoxysilane
CID 11508446
[(E)-hexacos-15-enoxy]methylbenzene
CID 58900689
[(Z)-pentadec-6-enoxy]methylbenzene
CID 10591538

Frequently Asked Questions

What is the IUPAC name of ditert-butyl-[(E)-hex-2-enyl]-phenylmethoxysilane?
The IUPAC name of ditert-butyl-[(E)-hex-2-enyl]-phenylmethoxysilane (CID 10640363) is ditert-butyl-[(E)-hex-2-enyl]-phenylmethoxysilane.
What is the SMILES notation for ditert-butyl-[(E)-hex-2-enyl]-phenylmethoxysilane?
The canonical SMILES for ditert-butyl-[(E)-hex-2-enyl]-phenylmethoxysilane is CCC/C=C/C[Si](OCc1ccccc1)(C(C)(C)C)C(C)(C)C.
What is the InChIKey of ditert-butyl-[(E)-hex-2-enyl]-phenylmethoxysilane?
The InChIKey is AGVYKNXYNPZYGH-GXDHUFHOSA-N. The full InChI is InChI=1S/C21H36OSi/c1-8-9-10-14-17-23(20(2,3)4,21(5,6)7)22-18-19-15-12-11-13-16-19/h10-16H,8-9,17-18H2,1-7H3/b14-10+.
What are the key properties of ditert-butyl-[(E)-hex-2-enyl]-phenylmethoxysilane?
ditert-butyl-[(E)-hex-2-enyl]-phenylmethoxysilane has a molecular weight of 332.60 g/mol, XLogP of 7.11, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl-[(E)-hex-2-enyl]-phenylmethoxysilane is sourced from PubChem (CID 10640363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).