[4-[4-[(1E,3Z,5Z)-cycloocta-1,3,5-trien-1-yl]phenyl]phenyl]-trimethylsilane

C23H26Si — CID 174151682

IUPAC[4-[4-[(1E,3Z,5Z)-cycloocta-1,3,5-trien-1-yl]phenyl]phenyl]-trimethylsilane
SMILESC[Si](C)(C)c1ccc(-c2ccc(/C3=C/C=C\C=C/CC3)cc2)cc1
InChIInChI=1S/C23H26Si/c1-24(2,3)23-17-15-22(16-18-23)21-13-11-20(12-14-21)19-9-7-5-4-6-8-10-19/h4-7,9,11-18H,8,10H2,1-3H3/b6-4-,7-5-,19-9+
InChIKeyFRIDAXPNQSKETA-SULRQSTRSA-N
MW330.55 g/mol
LogP6.19
Rot. Bonds3

About [4-[4-[(1E,3Z,5Z)-cycloocta-1,3,5-trien-1-yl]phenyl]phenyl]-trimethylsilane

[4-[4-[(1E,3Z,5Z)-cycloocta-1,3,5-trien-1-yl]phenyl]phenyl]-trimethylsilane (PubChem CID 174151682) has the molecular formula C23H26Si and a molecular weight of 330.55 g/mol. Its IUPAC name is [4-[4-[(1E,3Z,5Z)-cycloocta-1,3,5-trien-1-yl]phenyl]phenyl]-trimethylsilane.

Molecular Properties

Compound Name[4-[4-[(1E,3Z,5Z)-cycloocta-1,3,5-trien-1-yl]phenyl]phenyl]-trimethylsilane
PubChem CID174151682
Molecular FormulaC23H26Si
Molecular Weight330.55 g/mol
Exact Mass330.18
IUPAC Name[4-[4-[(1E,3Z,5Z)-cycloocta-1,3,5-trien-1-yl]phenyl]phenyl]-trimethylsilane
SMILESC[Si](C)(C)c1ccc(-c2ccc(/C3=C/C=C\C=C/CC3)cc2)cc1
InChIInChI=1S/C23H26Si/c1-24(2,3)23-17-15-22(16-18-23)21-13-11-20(12-14-21)19-9-7-5-4-6-8-10-19/h4-7,9,11-18H,8,10H2,1-3H3/b6-4-,7-5-,19-9+
InChIKeyFRIDAXPNQSKETA-SULRQSTRSA-N
XLogP6.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.55
LogP ≤ 56.19
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 [4-[4-[(1E,3Z,5Z)-cycloocta-1,3,5-trien-1-yl]phenyl]phenyl]-trimethylsilane?
The IUPAC name of [4-[4-[(1E,3Z,5Z)-cycloocta-1,3,5-trien-1-yl]phenyl]phenyl]-trimethylsilane (CID 174151682) is [4-[4-[(1E,3Z,5Z)-cycloocta-1,3,5-trien-1-yl]phenyl]phenyl]-trimethylsilane.
What is the SMILES notation for [4-[4-[(1E,3Z,5Z)-cycloocta-1,3,5-trien-1-yl]phenyl]phenyl]-trimethylsilane?
The canonical SMILES for [4-[4-[(1E,3Z,5Z)-cycloocta-1,3,5-trien-1-yl]phenyl]phenyl]-trimethylsilane is C[Si](C)(C)c1ccc(-c2ccc(/C3=C/C=C\C=C/CC3)cc2)cc1.
What is the InChIKey of [4-[4-[(1E,3Z,5Z)-cycloocta-1,3,5-trien-1-yl]phenyl]phenyl]-trimethylsilane?
The InChIKey is FRIDAXPNQSKETA-SULRQSTRSA-N. The full InChI is InChI=1S/C23H26Si/c1-24(2,3)23-17-15-22(16-18-23)21-13-11-20(12-14-21)19-9-7-5-4-6-8-10-19/h4-7,9,11-18H,8,10H2,1-3H3/b6-4-,7-5-,19-9+.
What are the key properties of [4-[4-[(1E,3Z,5Z)-cycloocta-1,3,5-trien-1-yl]phenyl]phenyl]-trimethylsilane?
[4-[4-[(1E,3Z,5Z)-cycloocta-1,3,5-trien-1-yl]phenyl]phenyl]-trimethylsilane has a molecular weight of 330.55 g/mol, XLogP of 6.19, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[(1E,3Z,5Z)-cycloocta-1,3,5-trien-1-yl]phenyl]phenyl]-trimethylsilane is sourced from PubChem (CID 174151682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).