(4,5-dimethylcyclohexa-1,4-dien-1-yl)-trimethylsilane

C11H20Si — CID 11819660

IUPAC(4,5-dimethylcyclohexa-1,4-dien-1-yl)-trimethylsilane
SMILESCC1=C(C)CC([Si](C)(C)C)=CC1
InChIInChI=1S/C11H20Si/c1-9-6-7-11(8-10(9)2)12(3,4)5/h7H,6,8H2,1-5H3
InChIKeyQWOWBHCMUCATJU-UHFFFAOYSA-N
MW180.37 g/mol
LogP3.92
Rot. Bonds1

About (4,5-dimethylcyclohexa-1,4-dien-1-yl)-trimethylsilane

(4,5-dimethylcyclohexa-1,4-dien-1-yl)-trimethylsilane (PubChem CID 11819660) has the molecular formula C11H20Si and a molecular weight of 180.37 g/mol. Its IUPAC name is (4,5-dimethylcyclohexa-1,4-dien-1-yl)-trimethylsilane.

Molecular Properties

Compound Name(4,5-dimethylcyclohexa-1,4-dien-1-yl)-trimethylsilane
PubChem CID11819660
Molecular FormulaC11H20Si
Molecular Weight180.37 g/mol
Exact Mass180.13
IUPAC Name(4,5-dimethylcyclohexa-1,4-dien-1-yl)-trimethylsilane
SMILESCC1=C(C)CC([Si](C)(C)C)=CC1
InChIInChI=1S/C11H20Si/c1-9-6-7-11(8-10(9)2)12(3,4)5/h7H,6,8H2,1-5H3
InChIKeyQWOWBHCMUCATJU-UHFFFAOYSA-N
XLogP3.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.37
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 (4,5-dimethylcyclohexa-1,4-dien-1-yl)-trimethylsilane?
The IUPAC name of (4,5-dimethylcyclohexa-1,4-dien-1-yl)-trimethylsilane (CID 11819660) is (4,5-dimethylcyclohexa-1,4-dien-1-yl)-trimethylsilane.
What is the SMILES notation for (4,5-dimethylcyclohexa-1,4-dien-1-yl)-trimethylsilane?
The canonical SMILES for (4,5-dimethylcyclohexa-1,4-dien-1-yl)-trimethylsilane is CC1=C(C)CC([Si](C)(C)C)=CC1.
What is the InChIKey of (4,5-dimethylcyclohexa-1,4-dien-1-yl)-trimethylsilane?
The InChIKey is QWOWBHCMUCATJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20Si/c1-9-6-7-11(8-10(9)2)12(3,4)5/h7H,6,8H2,1-5H3.
What are the key properties of (4,5-dimethylcyclohexa-1,4-dien-1-yl)-trimethylsilane?
(4,5-dimethylcyclohexa-1,4-dien-1-yl)-trimethylsilane has a molecular weight of 180.37 g/mol, XLogP of 3.92, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dimethylcyclohexa-1,4-dien-1-yl)-trimethylsilane is sourced from PubChem (CID 11819660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).