(2-butylsulfanylphenyl)-cyclopenta-1,4-dien-1-yl-dimethylsilane

C17H24SSi — CID 22555346

IUPAC(2-butylsulfanylphenyl)-cyclopenta-1,4-dien-1-yl-dimethylsilane
SMILESCCCCSc1ccccc1[Si](C)(C)C1=CCC=C1
InChIInChI=1S/C17H24SSi/c1-4-5-14-18-16-12-8-9-13-17(16)19(2,3)15-10-6-7-11-15/h6,8-13H,4-5,7,14H2,1-3H3
InChIKeyUSCHGXJNMLGKLE-UHFFFAOYSA-N
MW288.53 g/mol
LogP4.92
Rot. Bonds6

About (2-butylsulfanylphenyl)-cyclopenta-1,4-dien-1-yl-dimethylsilane

(2-butylsulfanylphenyl)-cyclopenta-1,4-dien-1-yl-dimethylsilane (PubChem CID 22555346) has the molecular formula C17H24SSi and a molecular weight of 288.53 g/mol. Its IUPAC name is (2-butylsulfanylphenyl)-cyclopenta-1,4-dien-1-yl-dimethylsilane.

Molecular Properties

Compound Name(2-butylsulfanylphenyl)-cyclopenta-1,4-dien-1-yl-dimethylsilane
PubChem CID22555346
Molecular FormulaC17H24SSi
Molecular Weight288.53 g/mol
Exact Mass288.14
IUPAC Name(2-butylsulfanylphenyl)-cyclopenta-1,4-dien-1-yl-dimethylsilane
SMILESCCCCSc1ccccc1[Si](C)(C)C1=CCC=C1
InChIInChI=1S/C17H24SSi/c1-4-5-14-18-16-12-8-9-13-17(16)19(2,3)15-10-6-7-11-15/h6,8-13H,4-5,7,14H2,1-3H3
InChIKeyUSCHGXJNMLGKLE-UHFFFAOYSA-N
XLogP4.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.53
LogP ≤ 54.92
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'}

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Frequently Asked Questions

What is the IUPAC name of (2-butylsulfanylphenyl)-cyclopenta-1,4-dien-1-yl-dimethylsilane?
The IUPAC name of (2-butylsulfanylphenyl)-cyclopenta-1,4-dien-1-yl-dimethylsilane (CID 22555346) is (2-butylsulfanylphenyl)-cyclopenta-1,4-dien-1-yl-dimethylsilane.
What is the SMILES notation for (2-butylsulfanylphenyl)-cyclopenta-1,4-dien-1-yl-dimethylsilane?
The canonical SMILES for (2-butylsulfanylphenyl)-cyclopenta-1,4-dien-1-yl-dimethylsilane is CCCCSc1ccccc1[Si](C)(C)C1=CCC=C1.
What is the InChIKey of (2-butylsulfanylphenyl)-cyclopenta-1,4-dien-1-yl-dimethylsilane?
The InChIKey is USCHGXJNMLGKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24SSi/c1-4-5-14-18-16-12-8-9-13-17(16)19(2,3)15-10-6-7-11-15/h6,8-13H,4-5,7,14H2,1-3H3.
What are the key properties of (2-butylsulfanylphenyl)-cyclopenta-1,4-dien-1-yl-dimethylsilane?
(2-butylsulfanylphenyl)-cyclopenta-1,4-dien-1-yl-dimethylsilane has a molecular weight of 288.53 g/mol, XLogP of 4.92, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-butylsulfanylphenyl)-cyclopenta-1,4-dien-1-yl-dimethylsilane is sourced from PubChem (CID 22555346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).