tert-butyl(dimethyl)silane;1,5-dimethoxy-6-methylcyclohexa-1,4-diene

C15H30O2Si — CID 173167734

IUPACtert-butyl(dimethyl)silane;1,5-dimethoxy-6-methylcyclohexa-1,4-diene
SMILESCOC1=CCC=C(OC)C1C.C[SiH](C)C(C)(C)C
InChIInChI=1S/C9H14O2.C6H16Si/c1-7-8(10-2)5-4-6-9(7)11-3;1-6(2,3)7(4)5/h5-7H,4H2,1-3H3;7H,1-5H3
InChIKeyPWUDLIHGRLHRMQ-UHFFFAOYSA-N
MW270.49 g/mol
LogP4.36
Rot. Bonds2

About tert-butyl(dimethyl)silane;1,5-dimethoxy-6-methylcyclohexa-1,4-diene

tert-butyl(dimethyl)silane;1,5-dimethoxy-6-methylcyclohexa-1,4-diene (PubChem CID 173167734) has the molecular formula C15H30O2Si and a molecular weight of 270.49 g/mol. Its IUPAC name is tert-butyl(dimethyl)silane;1,5-dimethoxy-6-methylcyclohexa-1,4-diene.

Molecular Properties

Compound Nametert-butyl(dimethyl)silane;1,5-dimethoxy-6-methylcyclohexa-1,4-diene
PubChem CID173167734
Molecular FormulaC15H30O2Si
Molecular Weight270.49 g/mol
Exact Mass270.20
IUPAC Nametert-butyl(dimethyl)silane;1,5-dimethoxy-6-methylcyclohexa-1,4-diene
SMILESCOC1=CCC=C(OC)C1C.C[SiH](C)C(C)(C)C
InChIInChI=1S/C9H14O2.C6H16Si/c1-7-8(10-2)5-4-6-9(7)11-3;1-6(2,3)7(4)5/h5-7H,4H2,1-3H3;7H,1-5H3
InChIKeyPWUDLIHGRLHRMQ-UHFFFAOYSA-N
XLogP4.36
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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)silane;1,5-dimethoxy-6-methylcyclohexa-1,4-diene?
The IUPAC name of tert-butyl(dimethyl)silane;1,5-dimethoxy-6-methylcyclohexa-1,4-diene (CID 173167734) is tert-butyl(dimethyl)silane;1,5-dimethoxy-6-methylcyclohexa-1,4-diene.
What is the SMILES notation for tert-butyl(dimethyl)silane;1,5-dimethoxy-6-methylcyclohexa-1,4-diene?
The canonical SMILES for tert-butyl(dimethyl)silane;1,5-dimethoxy-6-methylcyclohexa-1,4-diene is COC1=CCC=C(OC)C1C.C[SiH](C)C(C)(C)C.
What is the InChIKey of tert-butyl(dimethyl)silane;1,5-dimethoxy-6-methylcyclohexa-1,4-diene?
The InChIKey is PWUDLIHGRLHRMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2.C6H16Si/c1-7-8(10-2)5-4-6-9(7)11-3;1-6(2,3)7(4)5/h5-7H,4H2,1-3H3;7H,1-5H3.
What are the key properties of tert-butyl(dimethyl)silane;1,5-dimethoxy-6-methylcyclohexa-1,4-diene?
tert-butyl(dimethyl)silane;1,5-dimethoxy-6-methylcyclohexa-1,4-diene has a molecular weight of 270.49 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl(dimethyl)silane;1,5-dimethoxy-6-methylcyclohexa-1,4-diene is sourced from PubChem (CID 173167734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).