2-[5-decyl-2-(4-trimethylsilylbuta-1,3-diynyl)phenyl]ethynyl-tri(propan-2-yl)silane

C34H54Si2 — CID 11489252

IUPAC2-[5-decyl-2-(4-trimethylsilylbuta-1,3-diynyl)phenyl]ethynyl-tri(propan-2-yl)silane
SMILESCCCCCCCCCCc1ccc(C#CC#C[Si](C)(C)C)c(C#C[Si](C(C)C)(C(C)C)C(C)C)c1
InChIInChI=1S/C34H54Si2/c1-11-12-13-14-15-16-17-18-21-32-23-24-33(22-19-20-26-35(8,9)10)34(28-32)25-27-36(29(2)3,30(4)5)31(6)7/h23-24,28-31H,11-18,21H2,1-10H3
InChIKeyKCSHIUFJPXPPPN-UHFFFAOYSA-N
MW518.98 g/mol
LogP10.17
Rot. Bonds12

About 2-[5-decyl-2-(4-trimethylsilylbuta-1,3-diynyl)phenyl]ethynyl-tri(propan-2-yl)silane

2-[5-decyl-2-(4-trimethylsilylbuta-1,3-diynyl)phenyl]ethynyl-tri(propan-2-yl)silane (PubChem CID 11489252) has the molecular formula C34H54Si2 and a molecular weight of 518.98 g/mol. Its IUPAC name is 2-[5-decyl-2-(4-trimethylsilylbuta-1,3-diynyl)phenyl]ethynyl-tri(propan-2-yl)silane.

Molecular Properties

Compound Name2-[5-decyl-2-(4-trimethylsilylbuta-1,3-diynyl)phenyl]ethynyl-tri(propan-2-yl)silane
PubChem CID11489252
Molecular FormulaC34H54Si2
Molecular Weight518.98 g/mol
Exact Mass518.38
IUPAC Name2-[5-decyl-2-(4-trimethylsilylbuta-1,3-diynyl)phenyl]ethynyl-tri(propan-2-yl)silane
SMILESCCCCCCCCCCc1ccc(C#CC#C[Si](C)(C)C)c(C#C[Si](C(C)C)(C(C)C)C(C)C)c1
InChIInChI=1S/C34H54Si2/c1-11-12-13-14-15-16-17-18-21-32-23-24-33(22-19-20-26-35(8,9)10)34(28-32)25-27-36(29(2)3,30(4)5)31(6)7/h23-24,28-31H,11-18,21H2,1-10H3
InChIKeyKCSHIUFJPXPPPN-UHFFFAOYSA-N
XLogP10.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.98
LogP ≤ 510.17
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

2-(2-bromo-4-hexylphenyl)ethynyl-tri(propan-2-yl)silane
CID 141465745
4-(4-hexylphenyl)buta-1,3-diynyl-trimethylsilane
CID 12032946
2-[2-[4-[4,5-dihexyl-2-(2-trimethylsilylethynyl)phenyl]buta-1,3-diynyl]-4,5-dihexylphenyl]ethynyl-trimethylsilane
CID 10372779
2-[2-[4-[4,5-dioctoxy-2-[2-tri(propan-2-yl)silylethynyl]phenyl]buta-1,3-diynyl]-4,5-dioctoxyphenyl]ethynyl-tri(propan-2-yl)silane
CID 15528898
1,4-dibromo-2,5-bis[2-(2-prop-1-ynyl-4-tetradecylphenyl)ethynyl]benzene
CID 101431383
trimethyl-[2-[3-[2-[4-[2-tri(propan-2-yl)silylethynyl]-3-pyridinyl]ethynyl]-4-pyridinyl]ethynyl]silane
CID 11751469
1-octyl-4-[4-(4-octylphenyl)buta-1,3-diynyl]benzene
CID 100934504
2-[2,6-bis(5-hexylthiophen-2-yl)-10-[2-tri(propan-2-yl)silylethynyl]anthracen-9-yl]ethynyl-tri(propan-2-yl)silane
CID 87430751
2-[4-[2-(4-bromo-2,5-dihexylphenyl)ethynyl]-2,5-dihexylphenyl]ethynyl-trimethylsilane
CID 10747186
6,15-dihexylpentacyclo[10.6.0.03,10.04,9.013,18]octadeca-1,3(10),4(9),5,7,11,13(18),14,16-nonaene
CID 162784810
2-[5-tert-butyl-2-[2-[2,4,5-tris[2-[4-tert-butyl-2-[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl-tri(propan-2-yl)silane
CID 102208638
2,5-bis[4-(4-dodecylphenyl)-3-phenylphenyl]-3-phenyl-4-[3-[2-tri(propan-2-yl)silylethynyl]phenyl]cyclopenta-2,4-dien-1-one
CID 134951024

Frequently Asked Questions

What is the IUPAC name of 2-[5-decyl-2-(4-trimethylsilylbuta-1,3-diynyl)phenyl]ethynyl-tri(propan-2-yl)silane?
The IUPAC name of 2-[5-decyl-2-(4-trimethylsilylbuta-1,3-diynyl)phenyl]ethynyl-tri(propan-2-yl)silane (CID 11489252) is 2-[5-decyl-2-(4-trimethylsilylbuta-1,3-diynyl)phenyl]ethynyl-tri(propan-2-yl)silane.
What is the SMILES notation for 2-[5-decyl-2-(4-trimethylsilylbuta-1,3-diynyl)phenyl]ethynyl-tri(propan-2-yl)silane?
The canonical SMILES for 2-[5-decyl-2-(4-trimethylsilylbuta-1,3-diynyl)phenyl]ethynyl-tri(propan-2-yl)silane is CCCCCCCCCCc1ccc(C#CC#C[Si](C)(C)C)c(C#C[Si](C(C)C)(C(C)C)C(C)C)c1.
What is the InChIKey of 2-[5-decyl-2-(4-trimethylsilylbuta-1,3-diynyl)phenyl]ethynyl-tri(propan-2-yl)silane?
The InChIKey is KCSHIUFJPXPPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H54Si2/c1-11-12-13-14-15-16-17-18-21-32-23-24-33(22-19-20-26-35(8,9)10)34(28-32)25-27-36(29(2)3,30(4)5)31(6)7/h23-24,28-31H,11-18,21H2,1-10H3.
What are the key properties of 2-[5-decyl-2-(4-trimethylsilylbuta-1,3-diynyl)phenyl]ethynyl-tri(propan-2-yl)silane?
2-[5-decyl-2-(4-trimethylsilylbuta-1,3-diynyl)phenyl]ethynyl-tri(propan-2-yl)silane has a molecular weight of 518.98 g/mol, XLogP of 10.17, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-decyl-2-(4-trimethylsilylbuta-1,3-diynyl)phenyl]ethynyl-tri(propan-2-yl)silane is sourced from PubChem (CID 11489252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).