[(Z)-5,5-bis(4-methoxyphenyl)-3-phenylpent-3-en-1-ynyl]-trimethylsilane

C28H30O2Si — CID 12968057

IUPAC[(Z)-5,5-bis(4-methoxyphenyl)-3-phenylpent-3-en-1-ynyl]-trimethylsilane
SMILESCOc1ccc(C(/C=C(\C#C[Si](C)(C)C)c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C28H30O2Si/c1-29-26-15-11-23(12-16-26)28(24-13-17-27(30-2)18-14-24)21-25(19-20-31(3,4)5)22-9-7-6-8-10-22/h6-18,21,28H,1-5H3/b25-21+
InChIKeyHNVJBGNSVCOHSN-NJNXFGOHSA-N
MW426.63 g/mol
LogP6.80
Rot. Bonds6

About [(Z)-5,5-bis(4-methoxyphenyl)-3-phenylpent-3-en-1-ynyl]-trimethylsilane

[(Z)-5,5-bis(4-methoxyphenyl)-3-phenylpent-3-en-1-ynyl]-trimethylsilane (PubChem CID 12968057) has the molecular formula C28H30O2Si and a molecular weight of 426.63 g/mol. Its IUPAC name is [(Z)-5,5-bis(4-methoxyphenyl)-3-phenylpent-3-en-1-ynyl]-trimethylsilane.

Molecular Properties

Compound Name[(Z)-5,5-bis(4-methoxyphenyl)-3-phenylpent-3-en-1-ynyl]-trimethylsilane
PubChem CID12968057
Molecular FormulaC28H30O2Si
Molecular Weight426.63 g/mol
Exact Mass426.20
IUPAC Name[(Z)-5,5-bis(4-methoxyphenyl)-3-phenylpent-3-en-1-ynyl]-trimethylsilane
SMILESCOc1ccc(C(/C=C(\C#C[Si](C)(C)C)c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C28H30O2Si/c1-29-26-15-11-23(12-16-26)28(24-13-17-27(30-2)18-14-24)21-25(19-20-31(3,4)5)22-9-7-6-8-10-22/h6-18,21,28H,1-5H3/b25-21+
InChIKeyHNVJBGNSVCOHSN-NJNXFGOHSA-N
XLogP6.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.63
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-[1-(4-methoxyphenyl)-3-trimethylsilylprop-2-ynyl]phenol
CID 24769801
1-methoxy-4-[(1R)-1-phenylprop-2-enyl]benzene
CID 102287060
[(Z)-3-(4-methoxyphenyl)-1-phenyl-3-(2,4,6-trimethylphenyl)prop-1-enoxy]-trimethylsilane
CID 102313834
[3-(4-methoxyphenyl)-4-methylpent-3-en-1-ynyl]-trimethylsilane
CID 72711000
ethyl (E)-3-phenyl-5-trimethylsilylpent-2-en-4-ynoate
CID 87997933
(Z)-3-(4-methoxyphenyl)sulfanyl-2-phenylprop-2-enenitrile
CID 101045592
(1S)-1-(4-methoxyphenyl)-4-trimethylsilylbut-3-yn-1-ol
CID 134861734
[(3E,7E)-2,9-dimethyl-7-phenyldeca-3,7-dien-5-yn-4-yl]benzene
CID 5378828
[3-(4-methoxyphenyl)-3-prop-2-enoxyprop-1-ynyl]-trimethylsilane
CID 24866923
1-[bis[4-[(4-methoxyphenyl)-phenylmethyl]phenyl]methyl]-4-methoxybenzene
CID 70877905
1-methoxy-4-(3-phenyl-3-propan-2-ylsulfanylpropa-1,2-dienyl)benzene
CID 101253357
3-(4-methoxyphenyl)hex-5-en-1-ynyl-trimethylsilane
CID 24769802

Frequently Asked Questions

What is the IUPAC name of [(Z)-5,5-bis(4-methoxyphenyl)-3-phenylpent-3-en-1-ynyl]-trimethylsilane?
The IUPAC name of [(Z)-5,5-bis(4-methoxyphenyl)-3-phenylpent-3-en-1-ynyl]-trimethylsilane (CID 12968057) is [(Z)-5,5-bis(4-methoxyphenyl)-3-phenylpent-3-en-1-ynyl]-trimethylsilane.
What is the SMILES notation for [(Z)-5,5-bis(4-methoxyphenyl)-3-phenylpent-3-en-1-ynyl]-trimethylsilane?
The canonical SMILES for [(Z)-5,5-bis(4-methoxyphenyl)-3-phenylpent-3-en-1-ynyl]-trimethylsilane is COc1ccc(C(/C=C(\C#C[Si](C)(C)C)c2ccccc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of [(Z)-5,5-bis(4-methoxyphenyl)-3-phenylpent-3-en-1-ynyl]-trimethylsilane?
The InChIKey is HNVJBGNSVCOHSN-NJNXFGOHSA-N. The full InChI is InChI=1S/C28H30O2Si/c1-29-26-15-11-23(12-16-26)28(24-13-17-27(30-2)18-14-24)21-25(19-20-31(3,4)5)22-9-7-6-8-10-22/h6-18,21,28H,1-5H3/b25-21+.
What are the key properties of [(Z)-5,5-bis(4-methoxyphenyl)-3-phenylpent-3-en-1-ynyl]-trimethylsilane?
[(Z)-5,5-bis(4-methoxyphenyl)-3-phenylpent-3-en-1-ynyl]-trimethylsilane has a molecular weight of 426.63 g/mol, XLogP of 6.80, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-5,5-bis(4-methoxyphenyl)-3-phenylpent-3-en-1-ynyl]-trimethylsilane is sourced from PubChem (CID 12968057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).