trimethyl-[3-methyl-5-[(2-methylphenyl)-[(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)methyl]silyl]phenyl]silane

C27H38Si2 — CID 160814465

IUPACtrimethyl-[3-methyl-5-[(2-methylphenyl)-[(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)methyl]silyl]phenyl]silane
SMILESCC1=C(C)C(C)C(C[SiH](c2cc(C)cc([Si](C)(C)C)c2)c2ccccc2C)=C1C
InChIInChI=1S/C27H38Si2/c1-18-14-24(16-25(15-18)29(7,8)9)28(27-13-11-10-12-19(27)2)17-26-22(5)20(3)21(4)23(26)6/h10-16,22,28H,17H2,1-9H3
InChIKeySUBGISXQPYXLNP-UHFFFAOYSA-N
MW418.77 g/mol
LogP5.49
Rot. Bonds5

About trimethyl-[3-methyl-5-[(2-methylphenyl)-[(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)methyl]silyl]phenyl]silane

trimethyl-[3-methyl-5-[(2-methylphenyl)-[(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)methyl]silyl]phenyl]silane (PubChem CID 160814465) has the molecular formula C27H38Si2 and a molecular weight of 418.77 g/mol. Its IUPAC name is trimethyl-[3-methyl-5-[(2-methylphenyl)-[(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)methyl]silyl]phenyl]silane.

Molecular Properties

Compound Nametrimethyl-[3-methyl-5-[(2-methylphenyl)-[(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)methyl]silyl]phenyl]silane
PubChem CID160814465
Molecular FormulaC27H38Si2
Molecular Weight418.77 g/mol
Exact Mass418.25
IUPAC Nametrimethyl-[3-methyl-5-[(2-methylphenyl)-[(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)methyl]silyl]phenyl]silane
SMILESCC1=C(C)C(C)C(C[SiH](c2cc(C)cc([Si](C)(C)C)c2)c2ccccc2C)=C1C
InChIInChI=1S/C27H38Si2/c1-18-14-24(16-25(15-18)29(7,8)9)28(27-13-11-10-12-19(27)2)17-26-22(5)20(3)21(4)23(26)6/h10-16,22,28H,17H2,1-9H3
InChIKeySUBGISXQPYXLNP-UHFFFAOYSA-N
XLogP5.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.77
LogP ≤ 55.49
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-methyl-5-[(2-methylphenyl)-[(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)methyl]silyl]phenyl]silane?
The IUPAC name of trimethyl-[3-methyl-5-[(2-methylphenyl)-[(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)methyl]silyl]phenyl]silane (CID 160814465) is trimethyl-[3-methyl-5-[(2-methylphenyl)-[(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)methyl]silyl]phenyl]silane.
What is the SMILES notation for trimethyl-[3-methyl-5-[(2-methylphenyl)-[(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)methyl]silyl]phenyl]silane?
The canonical SMILES for trimethyl-[3-methyl-5-[(2-methylphenyl)-[(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)methyl]silyl]phenyl]silane is CC1=C(C)C(C)C(C[SiH](c2cc(C)cc([Si](C)(C)C)c2)c2ccccc2C)=C1C.
What is the InChIKey of trimethyl-[3-methyl-5-[(2-methylphenyl)-[(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)methyl]silyl]phenyl]silane?
The InChIKey is SUBGISXQPYXLNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38Si2/c1-18-14-24(16-25(15-18)29(7,8)9)28(27-13-11-10-12-19(27)2)17-26-22(5)20(3)21(4)23(26)6/h10-16,22,28H,17H2,1-9H3.
What are the key properties of trimethyl-[3-methyl-5-[(2-methylphenyl)-[(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)methyl]silyl]phenyl]silane?
trimethyl-[3-methyl-5-[(2-methylphenyl)-[(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)methyl]silyl]phenyl]silane has a molecular weight of 418.77 g/mol, XLogP of 5.49, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[3-methyl-5-[(2-methylphenyl)-[(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)methyl]silyl]phenyl]silane is sourced from PubChem (CID 160814465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).