trimethyl-(6-methyl-3-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl)oxysilane

C13H22OSi — CID 13360371

IUPACtrimethyl-(6-methyl-3-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl)oxysilane
SMILESC=C(C)C1C=C(O[Si](C)(C)C)C(C)=CC1
InChIInChI=1S/C13H22OSi/c1-10(2)12-8-7-11(3)13(9-12)14-15(4,5)6/h7,9,12H,1,8H2,2-6H3
InChIKeyJDANSBUFJJUXTK-UHFFFAOYSA-N
MW222.40 g/mol
LogP4.26
Rot. Bonds3

About trimethyl-(6-methyl-3-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl)oxysilane

trimethyl-(6-methyl-3-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl)oxysilane (PubChem CID 13360371) has the molecular formula C13H22OSi and a molecular weight of 222.40 g/mol. Its IUPAC name is trimethyl-(6-methyl-3-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl)oxysilane.

Molecular Properties

Compound Nametrimethyl-(6-methyl-3-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl)oxysilane
PubChem CID13360371
Molecular FormulaC13H22OSi
Molecular Weight222.40 g/mol
Exact Mass222.14
IUPAC Nametrimethyl-(6-methyl-3-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl)oxysilane
SMILESC=C(C)C1C=C(O[Si](C)(C)C)C(C)=CC1
InChIInChI=1S/C13H22OSi/c1-10(2)12-8-7-11(3)13(9-12)14-15(4,5)6/h7,9,12H,1,8H2,2-6H3
InChIKeyJDANSBUFJJUXTK-UHFFFAOYSA-N
XLogP4.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.40
LogP ≤ 54.26
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 trimethyl-(6-methyl-3-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl)oxysilane?
The IUPAC name of trimethyl-(6-methyl-3-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl)oxysilane (CID 13360371) is trimethyl-(6-methyl-3-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl)oxysilane.
What is the SMILES notation for trimethyl-(6-methyl-3-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl)oxysilane?
The canonical SMILES for trimethyl-(6-methyl-3-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl)oxysilane is C=C(C)C1C=C(O[Si](C)(C)C)C(C)=CC1.
What is the InChIKey of trimethyl-(6-methyl-3-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl)oxysilane?
The InChIKey is JDANSBUFJJUXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22OSi/c1-10(2)12-8-7-11(3)13(9-12)14-15(4,5)6/h7,9,12H,1,8H2,2-6H3.
What are the key properties of trimethyl-(6-methyl-3-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl)oxysilane?
trimethyl-(6-methyl-3-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl)oxysilane has a molecular weight of 222.40 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-(6-methyl-3-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl)oxysilane is sourced from PubChem (CID 13360371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).