trimethyl-(2-phenylcyclohexa-1,4-dien-1-yl)silane

C15H20Si — CID 71345894

IUPACtrimethyl-(2-phenylcyclohexa-1,4-dien-1-yl)silane
SMILESC[Si](C)(C)C1=C(c2ccccc2)CC=CC1
InChIInChI=1S/C15H20Si/c1-16(2,3)15-12-8-7-11-14(15)13-9-5-4-6-10-13/h4-10H,11-12H2,1-3H3
InChIKeyKTACEXOSFDAYOS-UHFFFAOYSA-N
MW228.41 g/mol
LogP4.67
Rot. Bonds2

About trimethyl-(2-phenylcyclohexa-1,4-dien-1-yl)silane

trimethyl-(2-phenylcyclohexa-1,4-dien-1-yl)silane (PubChem CID 71345894) has the molecular formula C15H20Si and a molecular weight of 228.41 g/mol. Its IUPAC name is trimethyl-(2-phenylcyclohexa-1,4-dien-1-yl)silane.

Molecular Properties

Compound Nametrimethyl-(2-phenylcyclohexa-1,4-dien-1-yl)silane
PubChem CID71345894
Molecular FormulaC15H20Si
Molecular Weight228.41 g/mol
Exact Mass228.13
IUPAC Nametrimethyl-(2-phenylcyclohexa-1,4-dien-1-yl)silane
SMILESC[Si](C)(C)C1=C(c2ccccc2)CC=CC1
InChIInChI=1S/C15H20Si/c1-16(2,3)15-12-8-7-11-14(15)13-9-5-4-6-10-13/h4-10H,11-12H2,1-3H3
InChIKeyKTACEXOSFDAYOS-UHFFFAOYSA-N
XLogP4.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.41
LogP ≤ 54.67
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 trimethyl-(2-phenylcyclohexa-1,4-dien-1-yl)silane?
The IUPAC name of trimethyl-(2-phenylcyclohexa-1,4-dien-1-yl)silane (CID 71345894) is trimethyl-(2-phenylcyclohexa-1,4-dien-1-yl)silane.
What is the SMILES notation for trimethyl-(2-phenylcyclohexa-1,4-dien-1-yl)silane?
The canonical SMILES for trimethyl-(2-phenylcyclohexa-1,4-dien-1-yl)silane is C[Si](C)(C)C1=C(c2ccccc2)CC=CC1.
What is the InChIKey of trimethyl-(2-phenylcyclohexa-1,4-dien-1-yl)silane?
The InChIKey is KTACEXOSFDAYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Si/c1-16(2,3)15-12-8-7-11-14(15)13-9-5-4-6-10-13/h4-10H,11-12H2,1-3H3.
What are the key properties of trimethyl-(2-phenylcyclohexa-1,4-dien-1-yl)silane?
trimethyl-(2-phenylcyclohexa-1,4-dien-1-yl)silane has a molecular weight of 228.41 g/mol, XLogP of 4.67, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-(2-phenylcyclohexa-1,4-dien-1-yl)silane is sourced from PubChem (CID 71345894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).