trimethyl-[(2,3,3-trimethylcyclopenta-1,4-dien-1-yl)methyl]silane

C12H22Si — CID 141416984

IUPACtrimethyl-[(2,3,3-trimethylcyclopenta-1,4-dien-1-yl)methyl]silane
SMILESCC1=C(C[Si](C)(C)C)C=CC1(C)C
InChIInChI=1S/C12H22Si/c1-10-11(9-13(4,5)6)7-8-12(10,2)3/h7-8H,9H2,1-6H3
InChIKeyMMHXTAAFGCCETF-UHFFFAOYSA-N
MW194.39 g/mol
LogP4.24
Rot. Bonds2

About trimethyl-[(2,3,3-trimethylcyclopenta-1,4-dien-1-yl)methyl]silane

trimethyl-[(2,3,3-trimethylcyclopenta-1,4-dien-1-yl)methyl]silane (PubChem CID 141416984) has the molecular formula C12H22Si and a molecular weight of 194.39 g/mol. Its IUPAC name is trimethyl-[(2,3,3-trimethylcyclopenta-1,4-dien-1-yl)methyl]silane.

Molecular Properties

Compound Nametrimethyl-[(2,3,3-trimethylcyclopenta-1,4-dien-1-yl)methyl]silane
PubChem CID141416984
Molecular FormulaC12H22Si
Molecular Weight194.39 g/mol
Exact Mass194.15
IUPAC Nametrimethyl-[(2,3,3-trimethylcyclopenta-1,4-dien-1-yl)methyl]silane
SMILESCC1=C(C[Si](C)(C)C)C=CC1(C)C
InChIInChI=1S/C12H22Si/c1-10-11(9-13(4,5)6)7-8-12(10,2)3/h7-8H,9H2,1-6H3
InChIKeyMMHXTAAFGCCETF-UHFFFAOYSA-N
XLogP4.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.39
LogP ≤ 54.24
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-[(2,3,3-trimethylcyclopenta-1,4-dien-1-yl)methyl]silane?
The IUPAC name of trimethyl-[(2,3,3-trimethylcyclopenta-1,4-dien-1-yl)methyl]silane (CID 141416984) is trimethyl-[(2,3,3-trimethylcyclopenta-1,4-dien-1-yl)methyl]silane.
What is the SMILES notation for trimethyl-[(2,3,3-trimethylcyclopenta-1,4-dien-1-yl)methyl]silane?
The canonical SMILES for trimethyl-[(2,3,3-trimethylcyclopenta-1,4-dien-1-yl)methyl]silane is CC1=C(C[Si](C)(C)C)C=CC1(C)C.
What is the InChIKey of trimethyl-[(2,3,3-trimethylcyclopenta-1,4-dien-1-yl)methyl]silane?
The InChIKey is MMHXTAAFGCCETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22Si/c1-10-11(9-13(4,5)6)7-8-12(10,2)3/h7-8H,9H2,1-6H3.
What are the key properties of trimethyl-[(2,3,3-trimethylcyclopenta-1,4-dien-1-yl)methyl]silane?
trimethyl-[(2,3,3-trimethylcyclopenta-1,4-dien-1-yl)methyl]silane has a molecular weight of 194.39 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(2,3,3-trimethylcyclopenta-1,4-dien-1-yl)methyl]silane is sourced from PubChem (CID 141416984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).