trimethyl-[4-[4-[(1E,3Z,7E)-5-methylcycloocta-1,3,7-trien-1-yl]phenyl]phenyl]silane

C24H28Si — CID 174151690

IUPACtrimethyl-[4-[4-[(1E,3Z,7E)-5-methylcycloocta-1,3,7-trien-1-yl]phenyl]phenyl]silane
SMILESCC1/C=C\C=C(c2ccc(-c3ccc([Si](C)(C)C)cc3)cc2)/C=C\C1
InChIInChI=1S/C24H28Si/c1-19-7-5-9-20(10-6-8-19)21-11-13-22(14-12-21)23-15-17-24(18-16-23)25(2,3)4/h5-7,9-19H,8H2,1-4H3/b7-5-,10-6-,20-9+
InChIKeyHMXHMFLCWJJXBS-IRBYNORUSA-N
MW344.57 g/mol
LogP6.43
Rot. Bonds3

About trimethyl-[4-[4-[(1E,3Z,7E)-5-methylcycloocta-1,3,7-trien-1-yl]phenyl]phenyl]silane

trimethyl-[4-[4-[(1E,3Z,7E)-5-methylcycloocta-1,3,7-trien-1-yl]phenyl]phenyl]silane (PubChem CID 174151690) has the molecular formula C24H28Si and a molecular weight of 344.57 g/mol. Its IUPAC name is trimethyl-[4-[4-[(1E,3Z,7E)-5-methylcycloocta-1,3,7-trien-1-yl]phenyl]phenyl]silane.

Molecular Properties

Compound Nametrimethyl-[4-[4-[(1E,3Z,7E)-5-methylcycloocta-1,3,7-trien-1-yl]phenyl]phenyl]silane
PubChem CID174151690
Molecular FormulaC24H28Si
Molecular Weight344.57 g/mol
Exact Mass344.20
IUPAC Nametrimethyl-[4-[4-[(1E,3Z,7E)-5-methylcycloocta-1,3,7-trien-1-yl]phenyl]phenyl]silane
SMILESCC1/C=C\C=C(c2ccc(-c3ccc([Si](C)(C)C)cc3)cc2)/C=C\C1
InChIInChI=1S/C24H28Si/c1-19-7-5-9-20(10-6-8-19)21-11-13-22(14-12-21)23-15-17-24(18-16-23)25(2,3)4/h5-7,9-19H,8H2,1-4H3/b7-5-,10-6-,20-9+
InChIKeyHMXHMFLCWJJXBS-IRBYNORUSA-N
XLogP6.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.57
LogP ≤ 56.43
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-[4-[4-[(1E,3Z,7E)-5-methylcycloocta-1,3,7-trien-1-yl]phenyl]phenyl]silane?
The IUPAC name of trimethyl-[4-[4-[(1E,3Z,7E)-5-methylcycloocta-1,3,7-trien-1-yl]phenyl]phenyl]silane (CID 174151690) is trimethyl-[4-[4-[(1E,3Z,7E)-5-methylcycloocta-1,3,7-trien-1-yl]phenyl]phenyl]silane.
What is the SMILES notation for trimethyl-[4-[4-[(1E,3Z,7E)-5-methylcycloocta-1,3,7-trien-1-yl]phenyl]phenyl]silane?
The canonical SMILES for trimethyl-[4-[4-[(1E,3Z,7E)-5-methylcycloocta-1,3,7-trien-1-yl]phenyl]phenyl]silane is CC1/C=C\C=C(c2ccc(-c3ccc([Si](C)(C)C)cc3)cc2)/C=C\C1.
What is the InChIKey of trimethyl-[4-[4-[(1E,3Z,7E)-5-methylcycloocta-1,3,7-trien-1-yl]phenyl]phenyl]silane?
The InChIKey is HMXHMFLCWJJXBS-IRBYNORUSA-N. The full InChI is InChI=1S/C24H28Si/c1-19-7-5-9-20(10-6-8-19)21-11-13-22(14-12-21)23-15-17-24(18-16-23)25(2,3)4/h5-7,9-19H,8H2,1-4H3/b7-5-,10-6-,20-9+.
What are the key properties of trimethyl-[4-[4-[(1E,3Z,7E)-5-methylcycloocta-1,3,7-trien-1-yl]phenyl]phenyl]silane?
trimethyl-[4-[4-[(1E,3Z,7E)-5-methylcycloocta-1,3,7-trien-1-yl]phenyl]phenyl]silane has a molecular weight of 344.57 g/mol, XLogP of 6.43, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[4-[4-[(1E,3Z,7E)-5-methylcycloocta-1,3,7-trien-1-yl]phenyl]phenyl]silane is sourced from PubChem (CID 174151690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).