tert-butyl-[(E,3S)-3-(3-methoxyphenyl)but-1-enyl]-dimethylsilane

C17H28OSi — CID 102273772

IUPACtert-butyl-[(E,3S)-3-(3-methoxyphenyl)but-1-enyl]-dimethylsilane
SMILESCOc1cccc([C@@H](C)/C=C/[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C17H28OSi/c1-14(11-12-19(6,7)17(2,3)4)15-9-8-10-16(13-15)18-5/h8-14H,1-7H3/b12-11+/t14-/m0/s1
InChIKeyMNTQYSKCFSMXAH-GETOMWPZSA-N
MW276.50 g/mol
LogP5.40
Rot. Bonds4

About tert-butyl-[(E,3S)-3-(3-methoxyphenyl)but-1-enyl]-dimethylsilane

tert-butyl-[(E,3S)-3-(3-methoxyphenyl)but-1-enyl]-dimethylsilane (PubChem CID 102273772) has the molecular formula C17H28OSi and a molecular weight of 276.50 g/mol. Its IUPAC name is tert-butyl-[(E,3S)-3-(3-methoxyphenyl)but-1-enyl]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E,3S)-3-(3-methoxyphenyl)but-1-enyl]-dimethylsilane
PubChem CID102273772
Molecular FormulaC17H28OSi
Molecular Weight276.50 g/mol
Exact Mass276.19
IUPAC Nametert-butyl-[(E,3S)-3-(3-methoxyphenyl)but-1-enyl]-dimethylsilane
SMILESCOc1cccc([C@@H](C)/C=C/[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C17H28OSi/c1-14(11-12-19(6,7)17(2,3)4)15-9-8-10-16(13-15)18-5/h8-14H,1-7H3/b12-11+/t14-/m0/s1
InChIKeyMNTQYSKCFSMXAH-GETOMWPZSA-N
XLogP5.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.50
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze tert-butyl-[(E,3S)-3-(3-methoxyphenyl)but-1-enyl]-dimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E,3S)-3-(3-methoxyphenyl)but-1-enyl]-dimethylsilane?
The IUPAC name of tert-butyl-[(E,3S)-3-(3-methoxyphenyl)but-1-enyl]-dimethylsilane (CID 102273772) is tert-butyl-[(E,3S)-3-(3-methoxyphenyl)but-1-enyl]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E,3S)-3-(3-methoxyphenyl)but-1-enyl]-dimethylsilane?
The canonical SMILES for tert-butyl-[(E,3S)-3-(3-methoxyphenyl)but-1-enyl]-dimethylsilane is COc1cccc([C@@H](C)/C=C/[Si](C)(C)C(C)(C)C)c1.
What is the InChIKey of tert-butyl-[(E,3S)-3-(3-methoxyphenyl)but-1-enyl]-dimethylsilane?
The InChIKey is MNTQYSKCFSMXAH-GETOMWPZSA-N. The full InChI is InChI=1S/C17H28OSi/c1-14(11-12-19(6,7)17(2,3)4)15-9-8-10-16(13-15)18-5/h8-14H,1-7H3/b12-11+/t14-/m0/s1.
What are the key properties of tert-butyl-[(E,3S)-3-(3-methoxyphenyl)but-1-enyl]-dimethylsilane?
tert-butyl-[(E,3S)-3-(3-methoxyphenyl)but-1-enyl]-dimethylsilane has a molecular weight of 276.50 g/mol, XLogP of 5.40, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E,3S)-3-(3-methoxyphenyl)but-1-enyl]-dimethylsilane is sourced from PubChem (CID 102273772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).