tert-butyl-[1-[(3S)-3-(2,2-dimethylbut-3-enyl)-3-methylcyclopenten-1-yl]ethenoxy]-dimethylsilane

C20H36OSi — CID 71492112

IUPACtert-butyl-[1-[(3S)-3-(2,2-dimethylbut-3-enyl)-3-methylcyclopenten-1-yl]ethenoxy]-dimethylsilane
SMILESC=CC(C)(C)C[C@@]1(C)C=C(C(=C)O[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C20H36OSi/c1-11-19(6,7)15-20(8)13-12-17(14-20)16(2)21-22(9,10)18(3,4)5/h11,14H,1-2,12-13,15H2,3-10H3/t20-/m1/s1
InChIKeyRCLRVMOOQTVBKI-HXUWFJFHSA-N
MW320.59 g/mol
LogP6.85
Rot. Bonds6

About tert-butyl-[1-[(3S)-3-(2,2-dimethylbut-3-enyl)-3-methylcyclopenten-1-yl]ethenoxy]-dimethylsilane

tert-butyl-[1-[(3S)-3-(2,2-dimethylbut-3-enyl)-3-methylcyclopenten-1-yl]ethenoxy]-dimethylsilane (PubChem CID 71492112) has the molecular formula C20H36OSi and a molecular weight of 320.59 g/mol. Its IUPAC name is tert-butyl-[1-[(3S)-3-(2,2-dimethylbut-3-enyl)-3-methylcyclopenten-1-yl]ethenoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[1-[(3S)-3-(2,2-dimethylbut-3-enyl)-3-methylcyclopenten-1-yl]ethenoxy]-dimethylsilane
PubChem CID71492112
Molecular FormulaC20H36OSi
Molecular Weight320.59 g/mol
Exact Mass320.25
IUPAC Nametert-butyl-[1-[(3S)-3-(2,2-dimethylbut-3-enyl)-3-methylcyclopenten-1-yl]ethenoxy]-dimethylsilane
SMILESC=CC(C)(C)C[C@@]1(C)C=C(C(=C)O[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C20H36OSi/c1-11-19(6,7)15-20(8)13-12-17(14-20)16(2)21-22(9,10)18(3,4)5/h11,14H,1-2,12-13,15H2,3-10H3/t20-/m1/s1
InChIKeyRCLRVMOOQTVBKI-HXUWFJFHSA-N
XLogP6.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.59
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[1-[(3S)-3-(2,2-dimethylbut-3-enyl)-3-methylcyclopenten-1-yl]ethenoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[1-[(3S)-3-(2,2-dimethylbut-3-enyl)-3-methylcyclopenten-1-yl]ethenoxy]-dimethylsilane (CID 71492112) is tert-butyl-[1-[(3S)-3-(2,2-dimethylbut-3-enyl)-3-methylcyclopenten-1-yl]ethenoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[1-[(3S)-3-(2,2-dimethylbut-3-enyl)-3-methylcyclopenten-1-yl]ethenoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[1-[(3S)-3-(2,2-dimethylbut-3-enyl)-3-methylcyclopenten-1-yl]ethenoxy]-dimethylsilane is C=CC(C)(C)C[C@@]1(C)C=C(C(=C)O[Si](C)(C)C(C)(C)C)CC1.
What is the InChIKey of tert-butyl-[1-[(3S)-3-(2,2-dimethylbut-3-enyl)-3-methylcyclopenten-1-yl]ethenoxy]-dimethylsilane?
The InChIKey is RCLRVMOOQTVBKI-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H36OSi/c1-11-19(6,7)15-20(8)13-12-17(14-20)16(2)21-22(9,10)18(3,4)5/h11,14H,1-2,12-13,15H2,3-10H3/t20-/m1/s1.
What are the key properties of tert-butyl-[1-[(3S)-3-(2,2-dimethylbut-3-enyl)-3-methylcyclopenten-1-yl]ethenoxy]-dimethylsilane?
tert-butyl-[1-[(3S)-3-(2,2-dimethylbut-3-enyl)-3-methylcyclopenten-1-yl]ethenoxy]-dimethylsilane has a molecular weight of 320.59 g/mol, XLogP of 6.85, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[1-[(3S)-3-(2,2-dimethylbut-3-enyl)-3-methylcyclopenten-1-yl]ethenoxy]-dimethylsilane is sourced from PubChem (CID 71492112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).