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

C17H22OSi — CID 10912597

IUPAC4-(4-butoxyphenyl)buta-1,3-diynyl-trimethylsilane
SMILESCCCCOc1ccc(C#CC#C[Si](C)(C)C)cc1
InChIInChI=1S/C17H22OSi/c1-5-6-14-18-17-12-10-16(11-13-17)9-7-8-15-19(2,3)4/h10-13H,5-6,14H2,1-4H3
InChIKeyHNSDFTSKRVUEKC-UHFFFAOYSA-N
MW270.45 g/mol
LogP4.10
Rot. Bonds4

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

4-(4-butoxyphenyl)buta-1,3-diynyl-trimethylsilane (PubChem CID 10912597) has the molecular formula C17H22OSi and a molecular weight of 270.45 g/mol. Its IUPAC name is 4-(4-butoxyphenyl)buta-1,3-diynyl-trimethylsilane.

Molecular Properties

Compound Name4-(4-butoxyphenyl)buta-1,3-diynyl-trimethylsilane
PubChem CID10912597
Molecular FormulaC17H22OSi
Molecular Weight270.45 g/mol
Exact Mass270.14
IUPAC Name4-(4-butoxyphenyl)buta-1,3-diynyl-trimethylsilane
SMILESCCCCOc1ccc(C#CC#C[Si](C)(C)C)cc1
InChIInChI=1S/C17H22OSi/c1-5-6-14-18-17-12-10-16(11-13-17)9-7-8-15-19(2,3)4/h10-13H,5-6,14H2,1-4H3
InChIKeyHNSDFTSKRVUEKC-UHFFFAOYSA-N
XLogP4.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.45
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-decoxy-4-[4-(4-decoxyphenyl)buta-1,3-diynyl]benzene
CID 15184823
1-butoxy-4-[2-[4-(4-phenylbuta-1,3-diynyl)phenyl]ethynyl]benzene
CID 141226399
4-(4-hexylphenyl)buta-1,3-diynyl-trimethylsilane
CID 12032946
1-decoxy-4-[4-(4-methylphenyl)buta-1,3-diynyl]benzene
CID 10429384
1-dodecoxy-4-[2-(4-dodecoxyphenyl)ethynyl]benzene
CID 11827720
3-(4-heptoxyphenyl)prop-2-ynenitrile
CID 70500361
1-pentoxy-4-(2-phenylethynyl)benzene
CID 139636214
2-[4-[2-[4-[2-[4-[2-[4-[2-[4-[2-[4-[2-[4-[2-[2,5-dihexoxy-4-[2-[4-(2-trimethylsilylethynyl)phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]-2,5-dihexoxyphenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]-2,5-dihexoxyphenyl]ethynyl]phenyl]ethynyl-trimethylsilane
CID 102073656
1-nitro-4-[4-(4-octoxyphenyl)buta-1,3-diynyl]benzene
CID 10022348
4-(8-trimethylsilylocta-1,3,5,7-tetraynyl)benzonitrile
CID 132599654
1,4-dipentoxybenzene
CID 18314717
3-[4-[2-(4-dodecoxyphenyl)ethynyl]phenoxy]propan-1-ol
CID 4556199

Frequently Asked Questions

What is the IUPAC name of 4-(4-butoxyphenyl)buta-1,3-diynyl-trimethylsilane?
The IUPAC name of 4-(4-butoxyphenyl)buta-1,3-diynyl-trimethylsilane (CID 10912597) is 4-(4-butoxyphenyl)buta-1,3-diynyl-trimethylsilane.
What is the SMILES notation for 4-(4-butoxyphenyl)buta-1,3-diynyl-trimethylsilane?
The canonical SMILES for 4-(4-butoxyphenyl)buta-1,3-diynyl-trimethylsilane is CCCCOc1ccc(C#CC#C[Si](C)(C)C)cc1.
What is the InChIKey of 4-(4-butoxyphenyl)buta-1,3-diynyl-trimethylsilane?
The InChIKey is HNSDFTSKRVUEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22OSi/c1-5-6-14-18-17-12-10-16(11-13-17)9-7-8-15-19(2,3)4/h10-13H,5-6,14H2,1-4H3.
What are the key properties of 4-(4-butoxyphenyl)buta-1,3-diynyl-trimethylsilane?
4-(4-butoxyphenyl)buta-1,3-diynyl-trimethylsilane has a molecular weight of 270.45 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-butoxyphenyl)buta-1,3-diynyl-trimethylsilane is sourced from PubChem (CID 10912597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).