4-(4-hexylphenyl)buta-1,3-diynyl-trimethylsilane

C19H26Si — CID 12032946

IUPAC4-(4-hexylphenyl)buta-1,3-diynyl-trimethylsilane
SMILESCCCCCCc1ccc(C#CC#C[Si](C)(C)C)cc1
InChIInChI=1S/C19H26Si/c1-5-6-7-8-11-18-13-15-19(16-14-18)12-9-10-17-20(2,3)4/h13-16H,5-8,11H2,1-4H3
InChIKeyKTFCNFRWEDHBKC-UHFFFAOYSA-N
MW282.50 g/mol
LogP5.04
Rot. Bonds5

About 4-(4-hexylphenyl)buta-1,3-diynyl-trimethylsilane

4-(4-hexylphenyl)buta-1,3-diynyl-trimethylsilane (PubChem CID 12032946) has the molecular formula C19H26Si and a molecular weight of 282.50 g/mol. Its IUPAC name is 4-(4-hexylphenyl)buta-1,3-diynyl-trimethylsilane.

Molecular Properties

Compound Name4-(4-hexylphenyl)buta-1,3-diynyl-trimethylsilane
PubChem CID12032946
Molecular FormulaC19H26Si
Molecular Weight282.50 g/mol
Exact Mass282.18
IUPAC Name4-(4-hexylphenyl)buta-1,3-diynyl-trimethylsilane
SMILESCCCCCCc1ccc(C#CC#C[Si](C)(C)C)cc1
InChIInChI=1S/C19H26Si/c1-5-6-7-8-11-18-13-15-19(16-14-18)12-9-10-17-20(2,3)4/h13-16H,5-8,11H2,1-4H3
InChIKeyKTFCNFRWEDHBKC-UHFFFAOYSA-N
XLogP5.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.50
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-octyl-4-[4-(4-octylphenyl)buta-1,3-diynyl]benzene
CID 100934504
1-[2-(4-decylphenyl)ethynyl]-4-[2-(4-hexylphenyl)ethynyl]benzene
CID 19790521
4-(4-butoxyphenyl)buta-1,3-diynyl-trimethylsilane
CID 10912597
1-hexyl-4-[4-(4-hexylsulfanylphenyl)buta-1,3-diynyl]benzene
CID 151473865
1,2,3,4,5,6-hexakis[2-(4-nonylphenyl)ethynyl]benzene
CID 20581935
1-pentyl-4-[2-(4-propylphenyl)ethynyl]benzene
CID 19899704
1-[3,4-difluoro-6-(4-hexylphenyl)hex-3-en-1,5-diynyl]-4-hexylbenzene
CID 54055732
1-butyl-4-[4-(4-hexylsulfanylphenyl)buta-1,3-diynyl]benzene
CID 152623562
[4-[2-(4-hexylphenyl)ethynyl]phenyl]methanamine
CID 150614659
1-bromo-4-[2-(4-nonylphenyl)ethynyl]benzene
CID 71382203
1-heptyl-4-[(E)-6-(4-hexylphenyl)hex-3-en-1,5-diynyl]benzene
CID 19425004
1-propyl-4-[4-(4-propylphenyl)buta-1,3-diynyl]benzene
CID 14573547

Frequently Asked Questions

What is the IUPAC name of 4-(4-hexylphenyl)buta-1,3-diynyl-trimethylsilane?
The IUPAC name of 4-(4-hexylphenyl)buta-1,3-diynyl-trimethylsilane (CID 12032946) is 4-(4-hexylphenyl)buta-1,3-diynyl-trimethylsilane.
What is the SMILES notation for 4-(4-hexylphenyl)buta-1,3-diynyl-trimethylsilane?
The canonical SMILES for 4-(4-hexylphenyl)buta-1,3-diynyl-trimethylsilane is CCCCCCc1ccc(C#CC#C[Si](C)(C)C)cc1.
What is the InChIKey of 4-(4-hexylphenyl)buta-1,3-diynyl-trimethylsilane?
The InChIKey is KTFCNFRWEDHBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26Si/c1-5-6-7-8-11-18-13-15-19(16-14-18)12-9-10-17-20(2,3)4/h13-16H,5-8,11H2,1-4H3.
What are the key properties of 4-(4-hexylphenyl)buta-1,3-diynyl-trimethylsilane?
4-(4-hexylphenyl)buta-1,3-diynyl-trimethylsilane has a molecular weight of 282.50 g/mol, XLogP of 5.04, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hexylphenyl)buta-1,3-diynyl-trimethylsilane is sourced from PubChem (CID 12032946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).