tert-butyl-dimethyl-[(1R,2E,3R)-3-methyl-2-(trimethylsilylmethylidene)cyclobutyl]oxysilane

C15H32OSi2 — CID 134861965

IUPACtert-butyl-dimethyl-[(1R,2E,3R)-3-methyl-2-(trimethylsilylmethylidene)cyclobutyl]oxysilane
SMILESC[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)/C1=C/[Si](C)(C)C
InChIInChI=1S/C15H32OSi2/c1-12-10-14(13(12)11-17(5,6)7)16-18(8,9)15(2,3)4/h11-12,14H,10H2,1-9H3/b13-11+/t12-,14-/m1/s1
InChIKeyHKIMSVFVSRRAKN-ZSPDEYSBSA-N
MW284.59 g/mol
LogP5.22
Rot. Bonds3

About tert-butyl-dimethyl-[(1R,2E,3R)-3-methyl-2-(trimethylsilylmethylidene)cyclobutyl]oxysilane

tert-butyl-dimethyl-[(1R,2E,3R)-3-methyl-2-(trimethylsilylmethylidene)cyclobutyl]oxysilane (PubChem CID 134861965) has the molecular formula C15H32OSi2 and a molecular weight of 284.59 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(1R,2E,3R)-3-methyl-2-(trimethylsilylmethylidene)cyclobutyl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(1R,2E,3R)-3-methyl-2-(trimethylsilylmethylidene)cyclobutyl]oxysilane
PubChem CID134861965
Molecular FormulaC15H32OSi2
Molecular Weight284.59 g/mol
Exact Mass284.20
IUPAC Nametert-butyl-dimethyl-[(1R,2E,3R)-3-methyl-2-(trimethylsilylmethylidene)cyclobutyl]oxysilane
SMILESC[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)/C1=C/[Si](C)(C)C
InChIInChI=1S/C15H32OSi2/c1-12-10-14(13(12)11-17(5,6)7)16-18(8,9)15(2,3)4/h11-12,14H,10H2,1-9H3/b13-11+/t12-,14-/m1/s1
InChIKeyHKIMSVFVSRRAKN-ZSPDEYSBSA-N
XLogP5.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.59
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(1R,2E,3R)-3-methyl-2-(trimethylsilylmethylidene)cyclobutyl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(1R,2E,3R)-3-methyl-2-(trimethylsilylmethylidene)cyclobutyl]oxysilane (CID 134861965) is tert-butyl-dimethyl-[(1R,2E,3R)-3-methyl-2-(trimethylsilylmethylidene)cyclobutyl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(1R,2E,3R)-3-methyl-2-(trimethylsilylmethylidene)cyclobutyl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(1R,2E,3R)-3-methyl-2-(trimethylsilylmethylidene)cyclobutyl]oxysilane is C[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)/C1=C/[Si](C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(1R,2E,3R)-3-methyl-2-(trimethylsilylmethylidene)cyclobutyl]oxysilane?
The InChIKey is HKIMSVFVSRRAKN-ZSPDEYSBSA-N. The full InChI is InChI=1S/C15H32OSi2/c1-12-10-14(13(12)11-17(5,6)7)16-18(8,9)15(2,3)4/h11-12,14H,10H2,1-9H3/b13-11+/t12-,14-/m1/s1.
What are the key properties of tert-butyl-dimethyl-[(1R,2E,3R)-3-methyl-2-(trimethylsilylmethylidene)cyclobutyl]oxysilane?
tert-butyl-dimethyl-[(1R,2E,3R)-3-methyl-2-(trimethylsilylmethylidene)cyclobutyl]oxysilane has a molecular weight of 284.59 g/mol, XLogP of 5.22, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(1R,2E,3R)-3-methyl-2-(trimethylsilylmethylidene)cyclobutyl]oxysilane is sourced from PubChem (CID 134861965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).