trimethyl-[(1E,3Z,5Z,7Z)-2-[4-(trifluoromethyl)phenyl]-3,4-bis(trimethylsilyl)cycloocta-1,3,5,7-tetraen-1-yl]silane

C24H35F3Si3 — CID 177431862

IUPACtrimethyl-[(1E,3Z,5Z,7Z)-2-[4-(trifluoromethyl)phenyl]-3,4-bis(trimethylsilyl)cycloocta-1,3,5,7-tetraen-1-yl]silane
SMILESC[Si](C)(C)C1=C([Si](C)(C)C)/C(c2ccc(C(F)(F)F)cc2)=C([Si](C)(C)C)\C=C/C=C\1
InChIInChI=1S/C24H35F3Si3/c1-28(2,3)20-12-10-11-13-21(29(4,5)6)23(30(7,8)9)22(20)18-14-16-19(17-15-18)24(25,26)27/h10-17H,1-9H3/b11-10-,12-10-,13-11-,20-12+,21-13+,22-20+,23-21-,23-22+
InChIKeyXFUUNLFKQWOQSZ-VJBNRIDDSA-N
MW464.80 g/mol
LogP8.51
Rot. Bonds4

About trimethyl-[(1E,3Z,5Z,7Z)-2-[4-(trifluoromethyl)phenyl]-3,4-bis(trimethylsilyl)cycloocta-1,3,5,7-tetraen-1-yl]silane

trimethyl-[(1E,3Z,5Z,7Z)-2-[4-(trifluoromethyl)phenyl]-3,4-bis(trimethylsilyl)cycloocta-1,3,5,7-tetraen-1-yl]silane (PubChem CID 177431862) has the molecular formula C24H35F3Si3 and a molecular weight of 464.80 g/mol. Its IUPAC name is trimethyl-[(1E,3Z,5Z,7Z)-2-[4-(trifluoromethyl)phenyl]-3,4-bis(trimethylsilyl)cycloocta-1,3,5,7-tetraen-1-yl]silane.

Molecular Properties

Compound Nametrimethyl-[(1E,3Z,5Z,7Z)-2-[4-(trifluoromethyl)phenyl]-3,4-bis(trimethylsilyl)cycloocta-1,3,5,7-tetraen-1-yl]silane
PubChem CID177431862
Molecular FormulaC24H35F3Si3
Molecular Weight464.80 g/mol
Exact Mass464.20
IUPAC Nametrimethyl-[(1E,3Z,5Z,7Z)-2-[4-(trifluoromethyl)phenyl]-3,4-bis(trimethylsilyl)cycloocta-1,3,5,7-tetraen-1-yl]silane
SMILESC[Si](C)(C)C1=C([Si](C)(C)C)/C(c2ccc(C(F)(F)F)cc2)=C([Si](C)(C)C)\C=C/C=C\1
InChIInChI=1S/C24H35F3Si3/c1-28(2,3)20-12-10-11-13-21(29(4,5)6)23(30(7,8)9)22(20)18-14-16-19(17-15-18)24(25,26)27/h10-17H,1-9H3/b11-10-,12-10-,13-11-,20-12+,21-13+,22-20+,23-21-,23-22+
InChIKeyXFUUNLFKQWOQSZ-VJBNRIDDSA-N
XLogP8.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.80
LogP ≤ 58.51
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-[(1E,3Z,5Z,7Z)-2-[4-(trifluoromethyl)phenyl]-3,4-bis(trimethylsilyl)cycloocta-1,3,5,7-tetraen-1-yl]silane?
The IUPAC name of trimethyl-[(1E,3Z,5Z,7Z)-2-[4-(trifluoromethyl)phenyl]-3,4-bis(trimethylsilyl)cycloocta-1,3,5,7-tetraen-1-yl]silane (CID 177431862) is trimethyl-[(1E,3Z,5Z,7Z)-2-[4-(trifluoromethyl)phenyl]-3,4-bis(trimethylsilyl)cycloocta-1,3,5,7-tetraen-1-yl]silane.
What is the SMILES notation for trimethyl-[(1E,3Z,5Z,7Z)-2-[4-(trifluoromethyl)phenyl]-3,4-bis(trimethylsilyl)cycloocta-1,3,5,7-tetraen-1-yl]silane?
The canonical SMILES for trimethyl-[(1E,3Z,5Z,7Z)-2-[4-(trifluoromethyl)phenyl]-3,4-bis(trimethylsilyl)cycloocta-1,3,5,7-tetraen-1-yl]silane is C[Si](C)(C)C1=C([Si](C)(C)C)/C(c2ccc(C(F)(F)F)cc2)=C([Si](C)(C)C)\C=C/C=C\1.
What is the InChIKey of trimethyl-[(1E,3Z,5Z,7Z)-2-[4-(trifluoromethyl)phenyl]-3,4-bis(trimethylsilyl)cycloocta-1,3,5,7-tetraen-1-yl]silane?
The InChIKey is XFUUNLFKQWOQSZ-VJBNRIDDSA-N. The full InChI is InChI=1S/C24H35F3Si3/c1-28(2,3)20-12-10-11-13-21(29(4,5)6)23(30(7,8)9)22(20)18-14-16-19(17-15-18)24(25,26)27/h10-17H,1-9H3/b11-10-,12-10-,13-11-,20-12+,21-13+,22-20+,23-21-,23-22+.
What are the key properties of trimethyl-[(1E,3Z,5Z,7Z)-2-[4-(trifluoromethyl)phenyl]-3,4-bis(trimethylsilyl)cycloocta-1,3,5,7-tetraen-1-yl]silane?
trimethyl-[(1E,3Z,5Z,7Z)-2-[4-(trifluoromethyl)phenyl]-3,4-bis(trimethylsilyl)cycloocta-1,3,5,7-tetraen-1-yl]silane has a molecular weight of 464.80 g/mol, XLogP of 8.51, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(1E,3Z,5Z,7Z)-2-[4-(trifluoromethyl)phenyl]-3,4-bis(trimethylsilyl)cycloocta-1,3,5,7-tetraen-1-yl]silane is sourced from PubChem (CID 177431862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).