trimethyl-[3-methyl-1-(2,6,6-trimethyl-3-trimethylsilyloxycyclohexa-1,3-dien-1-yl)penta-1,4-dien-3-yl]oxysilane

C21H38O2Si2 — CID 54394290

IUPACtrimethyl-[3-methyl-1-(2,6,6-trimethyl-3-trimethylsilyloxycyclohexa-1,3-dien-1-yl)penta-1,4-dien-3-yl]oxysilane
SMILESC=CC(C)(C=CC1=C(C)C(O[Si](C)(C)C)=CCC1(C)C)O[Si](C)(C)C
InChIInChI=1S/C21H38O2Si2/c1-12-21(5,23-25(9,10)11)16-13-18-17(2)19(22-24(6,7)8)14-15-20(18,3)4/h12-14,16H,1,15H2,2-11H3
InChIKeyVIVQNMJDYRYOIS-UHFFFAOYSA-N
MW378.71 g/mol
LogP6.82
Rot. Bonds7

About trimethyl-[3-methyl-1-(2,6,6-trimethyl-3-trimethylsilyloxycyclohexa-1,3-dien-1-yl)penta-1,4-dien-3-yl]oxysilane

trimethyl-[3-methyl-1-(2,6,6-trimethyl-3-trimethylsilyloxycyclohexa-1,3-dien-1-yl)penta-1,4-dien-3-yl]oxysilane (PubChem CID 54394290) has the molecular formula C21H38O2Si2 and a molecular weight of 378.71 g/mol. Its IUPAC name is trimethyl-[3-methyl-1-(2,6,6-trimethyl-3-trimethylsilyloxycyclohexa-1,3-dien-1-yl)penta-1,4-dien-3-yl]oxysilane.

Molecular Properties

Compound Nametrimethyl-[3-methyl-1-(2,6,6-trimethyl-3-trimethylsilyloxycyclohexa-1,3-dien-1-yl)penta-1,4-dien-3-yl]oxysilane
PubChem CID54394290
Molecular FormulaC21H38O2Si2
Molecular Weight378.71 g/mol
Exact Mass378.24
IUPAC Nametrimethyl-[3-methyl-1-(2,6,6-trimethyl-3-trimethylsilyloxycyclohexa-1,3-dien-1-yl)penta-1,4-dien-3-yl]oxysilane
SMILESC=CC(C)(C=CC1=C(C)C(O[Si](C)(C)C)=CCC1(C)C)O[Si](C)(C)C
InChIInChI=1S/C21H38O2Si2/c1-12-21(5,23-25(9,10)11)16-13-18-17(2)19(22-24(6,7)8)14-15-20(18,3)4/h12-14,16H,1,15H2,2-11H3
InChIKeyVIVQNMJDYRYOIS-UHFFFAOYSA-N
XLogP6.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.71
LogP ≤ 56.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 trimethyl-[3-methyl-1-(2,6,6-trimethyl-3-trimethylsilyloxycyclohexa-1,3-dien-1-yl)penta-1,4-dien-3-yl]oxysilane?
The IUPAC name of trimethyl-[3-methyl-1-(2,6,6-trimethyl-3-trimethylsilyloxycyclohexa-1,3-dien-1-yl)penta-1,4-dien-3-yl]oxysilane (CID 54394290) is trimethyl-[3-methyl-1-(2,6,6-trimethyl-3-trimethylsilyloxycyclohexa-1,3-dien-1-yl)penta-1,4-dien-3-yl]oxysilane.
What is the SMILES notation for trimethyl-[3-methyl-1-(2,6,6-trimethyl-3-trimethylsilyloxycyclohexa-1,3-dien-1-yl)penta-1,4-dien-3-yl]oxysilane?
The canonical SMILES for trimethyl-[3-methyl-1-(2,6,6-trimethyl-3-trimethylsilyloxycyclohexa-1,3-dien-1-yl)penta-1,4-dien-3-yl]oxysilane is C=CC(C)(C=CC1=C(C)C(O[Si](C)(C)C)=CCC1(C)C)O[Si](C)(C)C.
What is the InChIKey of trimethyl-[3-methyl-1-(2,6,6-trimethyl-3-trimethylsilyloxycyclohexa-1,3-dien-1-yl)penta-1,4-dien-3-yl]oxysilane?
The InChIKey is VIVQNMJDYRYOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38O2Si2/c1-12-21(5,23-25(9,10)11)16-13-18-17(2)19(22-24(6,7)8)14-15-20(18,3)4/h12-14,16H,1,15H2,2-11H3.
What are the key properties of trimethyl-[3-methyl-1-(2,6,6-trimethyl-3-trimethylsilyloxycyclohexa-1,3-dien-1-yl)penta-1,4-dien-3-yl]oxysilane?
trimethyl-[3-methyl-1-(2,6,6-trimethyl-3-trimethylsilyloxycyclohexa-1,3-dien-1-yl)penta-1,4-dien-3-yl]oxysilane has a molecular weight of 378.71 g/mol, XLogP of 6.82, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[3-methyl-1-(2,6,6-trimethyl-3-trimethylsilyloxycyclohexa-1,3-dien-1-yl)penta-1,4-dien-3-yl]oxysilane is sourced from PubChem (CID 54394290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).