tert-butyl-[(E)-5-(2,6-dimethoxycyclohexa-2,5-dien-1-yl)-3-methylpent-2-enoxy]-dimethylsilane

C20H36O3Si — CID 11221912

IUPACtert-butyl-[(E)-5-(2,6-dimethoxycyclohexa-2,5-dien-1-yl)-3-methylpent-2-enoxy]-dimethylsilane
SMILESCOC1=CCC=C(OC)C1CC/C(C)=C/CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H36O3Si/c1-16(14-15-23-24(7,8)20(2,3)4)12-13-17-18(21-5)10-9-11-19(17)22-6/h10-11,14,17H,9,12-13,15H2,1-8H3/b16-14+
InChIKeyLVJWGHMEJLPCDY-JQIJEIRASA-N
MW352.59 g/mol
LogP5.82
Rot. Bonds8

About tert-butyl-[(E)-5-(2,6-dimethoxycyclohexa-2,5-dien-1-yl)-3-methylpent-2-enoxy]-dimethylsilane

tert-butyl-[(E)-5-(2,6-dimethoxycyclohexa-2,5-dien-1-yl)-3-methylpent-2-enoxy]-dimethylsilane (PubChem CID 11221912) has the molecular formula C20H36O3Si and a molecular weight of 352.59 g/mol. Its IUPAC name is tert-butyl-[(E)-5-(2,6-dimethoxycyclohexa-2,5-dien-1-yl)-3-methylpent-2-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E)-5-(2,6-dimethoxycyclohexa-2,5-dien-1-yl)-3-methylpent-2-enoxy]-dimethylsilane
PubChem CID11221912
Molecular FormulaC20H36O3Si
Molecular Weight352.59 g/mol
Exact Mass352.24
IUPAC Nametert-butyl-[(E)-5-(2,6-dimethoxycyclohexa-2,5-dien-1-yl)-3-methylpent-2-enoxy]-dimethylsilane
SMILESCOC1=CCC=C(OC)C1CC/C(C)=C/CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H36O3Si/c1-16(14-15-23-24(7,8)20(2,3)4)12-13-17-18(21-5)10-9-11-19(17)22-6/h10-11,14,17H,9,12-13,15H2,1-8H3/b16-14+
InChIKeyLVJWGHMEJLPCDY-JQIJEIRASA-N
XLogP5.82
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.59
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E)-5-(2,6-dimethoxycyclohexa-2,5-dien-1-yl)-3-methylpent-2-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(E)-5-(2,6-dimethoxycyclohexa-2,5-dien-1-yl)-3-methylpent-2-enoxy]-dimethylsilane (CID 11221912) is tert-butyl-[(E)-5-(2,6-dimethoxycyclohexa-2,5-dien-1-yl)-3-methylpent-2-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E)-5-(2,6-dimethoxycyclohexa-2,5-dien-1-yl)-3-methylpent-2-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(E)-5-(2,6-dimethoxycyclohexa-2,5-dien-1-yl)-3-methylpent-2-enoxy]-dimethylsilane is COC1=CCC=C(OC)C1CC/C(C)=C/CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(E)-5-(2,6-dimethoxycyclohexa-2,5-dien-1-yl)-3-methylpent-2-enoxy]-dimethylsilane?
The InChIKey is LVJWGHMEJLPCDY-JQIJEIRASA-N. The full InChI is InChI=1S/C20H36O3Si/c1-16(14-15-23-24(7,8)20(2,3)4)12-13-17-18(21-5)10-9-11-19(17)22-6/h10-11,14,17H,9,12-13,15H2,1-8H3/b16-14+.
What are the key properties of tert-butyl-[(E)-5-(2,6-dimethoxycyclohexa-2,5-dien-1-yl)-3-methylpent-2-enoxy]-dimethylsilane?
tert-butyl-[(E)-5-(2,6-dimethoxycyclohexa-2,5-dien-1-yl)-3-methylpent-2-enoxy]-dimethylsilane has a molecular weight of 352.59 g/mol, XLogP of 5.82, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E)-5-(2,6-dimethoxycyclohexa-2,5-dien-1-yl)-3-methylpent-2-enoxy]-dimethylsilane is sourced from PubChem (CID 11221912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).