(1-tert-butylcyclobut-2-en-1-yl)methoxy-dimethylsilane

C11H22OSi — CID 173394477

IUPAC(1-tert-butylcyclobut-2-en-1-yl)methoxy-dimethylsilane
SMILESC[SiH](C)OCC1(C(C)(C)C)C=CC1
InChIInChI=1S/C11H22OSi/c1-10(2,3)11(7-6-8-11)9-12-13(4)5/h6-7,13H,8-9H2,1-5H3
InChIKeyDOGKOGWFYPUTSI-UHFFFAOYSA-N
MW198.38 g/mol
LogP2.98
Rot. Bonds3

About (1-tert-butylcyclobut-2-en-1-yl)methoxy-dimethylsilane

(1-tert-butylcyclobut-2-en-1-yl)methoxy-dimethylsilane (PubChem CID 173394477) has the molecular formula C11H22OSi and a molecular weight of 198.38 g/mol. Its IUPAC name is (1-tert-butylcyclobut-2-en-1-yl)methoxy-dimethylsilane.

Molecular Properties

Compound Name(1-tert-butylcyclobut-2-en-1-yl)methoxy-dimethylsilane
PubChem CID173394477
Molecular FormulaC11H22OSi
Molecular Weight198.38 g/mol
Exact Mass198.14
IUPAC Name(1-tert-butylcyclobut-2-en-1-yl)methoxy-dimethylsilane
SMILESC[SiH](C)OCC1(C(C)(C)C)C=CC1
InChIInChI=1S/C11H22OSi/c1-10(2,3)11(7-6-8-11)9-12-13(4)5/h6-7,13H,8-9H2,1-5H3
InChIKeyDOGKOGWFYPUTSI-UHFFFAOYSA-N
XLogP2.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.38
LogP ≤ 52.98
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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Frequently Asked Questions

What is the IUPAC name of (1-tert-butylcyclobut-2-en-1-yl)methoxy-dimethylsilane?
The IUPAC name of (1-tert-butylcyclobut-2-en-1-yl)methoxy-dimethylsilane (CID 173394477) is (1-tert-butylcyclobut-2-en-1-yl)methoxy-dimethylsilane.
What is the SMILES notation for (1-tert-butylcyclobut-2-en-1-yl)methoxy-dimethylsilane?
The canonical SMILES for (1-tert-butylcyclobut-2-en-1-yl)methoxy-dimethylsilane is C[SiH](C)OCC1(C(C)(C)C)C=CC1.
What is the InChIKey of (1-tert-butylcyclobut-2-en-1-yl)methoxy-dimethylsilane?
The InChIKey is DOGKOGWFYPUTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22OSi/c1-10(2,3)11(7-6-8-11)9-12-13(4)5/h6-7,13H,8-9H2,1-5H3.
What are the key properties of (1-tert-butylcyclobut-2-en-1-yl)methoxy-dimethylsilane?
(1-tert-butylcyclobut-2-en-1-yl)methoxy-dimethylsilane has a molecular weight of 198.38 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-tert-butylcyclobut-2-en-1-yl)methoxy-dimethylsilane is sourced from PubChem (CID 173394477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).