trimethyl-[3-(2-methylcyclopenta-1,3-dien-1-yl)phenyl]silane

C15H20Si — CID 150027533

IUPACtrimethyl-[3-(2-methylcyclopenta-1,3-dien-1-yl)phenyl]silane
SMILESCC1=C(c2cccc([Si](C)(C)C)c2)CC=C1
InChIInChI=1S/C15H20Si/c1-12-7-5-10-15(12)13-8-6-9-14(11-13)16(2,3)4/h5-9,11H,10H2,1-4H3
InChIKeyDGOBLIKKGCAUNM-UHFFFAOYSA-N
MW228.41 g/mol
LogP3.97
Rot. Bonds2

About trimethyl-[3-(2-methylcyclopenta-1,3-dien-1-yl)phenyl]silane

trimethyl-[3-(2-methylcyclopenta-1,3-dien-1-yl)phenyl]silane (PubChem CID 150027533) has the molecular formula C15H20Si and a molecular weight of 228.41 g/mol. Its IUPAC name is trimethyl-[3-(2-methylcyclopenta-1,3-dien-1-yl)phenyl]silane.

Molecular Properties

Compound Nametrimethyl-[3-(2-methylcyclopenta-1,3-dien-1-yl)phenyl]silane
PubChem CID150027533
Molecular FormulaC15H20Si
Molecular Weight228.41 g/mol
Exact Mass228.13
IUPAC Nametrimethyl-[3-(2-methylcyclopenta-1,3-dien-1-yl)phenyl]silane
SMILESCC1=C(c2cccc([Si](C)(C)C)c2)CC=C1
InChIInChI=1S/C15H20Si/c1-12-7-5-10-15(12)13-8-6-9-14(11-13)16(2,3)4/h5-9,11H,10H2,1-4H3
InChIKeyDGOBLIKKGCAUNM-UHFFFAOYSA-N
XLogP3.97
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 ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 trimethyl-[3-(2-methylcyclopenta-1,3-dien-1-yl)phenyl]silane?
The IUPAC name of trimethyl-[3-(2-methylcyclopenta-1,3-dien-1-yl)phenyl]silane (CID 150027533) is trimethyl-[3-(2-methylcyclopenta-1,3-dien-1-yl)phenyl]silane.
What is the SMILES notation for trimethyl-[3-(2-methylcyclopenta-1,3-dien-1-yl)phenyl]silane?
The canonical SMILES for trimethyl-[3-(2-methylcyclopenta-1,3-dien-1-yl)phenyl]silane is CC1=C(c2cccc([Si](C)(C)C)c2)CC=C1.
What is the InChIKey of trimethyl-[3-(2-methylcyclopenta-1,3-dien-1-yl)phenyl]silane?
The InChIKey is DGOBLIKKGCAUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Si/c1-12-7-5-10-15(12)13-8-6-9-14(11-13)16(2,3)4/h5-9,11H,10H2,1-4H3.
What are the key properties of trimethyl-[3-(2-methylcyclopenta-1,3-dien-1-yl)phenyl]silane?
trimethyl-[3-(2-methylcyclopenta-1,3-dien-1-yl)phenyl]silane has a molecular weight of 228.41 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[3-(2-methylcyclopenta-1,3-dien-1-yl)phenyl]silane is sourced from PubChem (CID 150027533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).