cyclopenta-2,4-dien-1-yl-dimethyl-[4-(5-methylthiophen-2-yl)azulen-1-yl]silane

C22H22SSi — CID 155796726

IUPACcyclopenta-2,4-dien-1-yl-dimethyl-[4-(5-methylthiophen-2-yl)azulen-1-yl]silane
SMILESCc1ccc(-c2ccccc3c([Si](C)(C)C4C=CC=C4)ccc2-3)s1
InChIInChI=1S/C22H22SSi/c1-16-12-14-21(23-16)19-10-6-7-11-20-18(19)13-15-22(20)24(2,3)17-8-4-5-9-17/h4-15,17H,1-3H3
InChIKeyJYEPTUVPQDGQDL-UHFFFAOYSA-N
MW346.57 g/mol
LogP6.24
Rot. Bonds3

About cyclopenta-2,4-dien-1-yl-dimethyl-[4-(5-methylthiophen-2-yl)azulen-1-yl]silane

cyclopenta-2,4-dien-1-yl-dimethyl-[4-(5-methylthiophen-2-yl)azulen-1-yl]silane (PubChem CID 155796726) has the molecular formula C22H22SSi and a molecular weight of 346.57 g/mol. Its IUPAC name is cyclopenta-2,4-dien-1-yl-dimethyl-[4-(5-methylthiophen-2-yl)azulen-1-yl]silane.

Molecular Properties

Compound Namecyclopenta-2,4-dien-1-yl-dimethyl-[4-(5-methylthiophen-2-yl)azulen-1-yl]silane
PubChem CID155796726
Molecular FormulaC22H22SSi
Molecular Weight346.57 g/mol
Exact Mass346.12
IUPAC Namecyclopenta-2,4-dien-1-yl-dimethyl-[4-(5-methylthiophen-2-yl)azulen-1-yl]silane
SMILESCc1ccc(-c2ccccc3c([Si](C)(C)C4C=CC=C4)ccc2-3)s1
InChIInChI=1S/C22H22SSi/c1-16-12-14-21(23-16)19-10-6-7-11-20-18(19)13-15-22(20)24(2,3)17-8-4-5-9-17/h4-15,17H,1-3H3
InChIKeyJYEPTUVPQDGQDL-UHFFFAOYSA-N
XLogP6.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.57
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclopenta-2,4-dien-1-yl-dimethyl-[4-(5-methylthiophen-2-yl)azulen-1-yl]silane?
The IUPAC name of cyclopenta-2,4-dien-1-yl-dimethyl-[4-(5-methylthiophen-2-yl)azulen-1-yl]silane (CID 155796726) is cyclopenta-2,4-dien-1-yl-dimethyl-[4-(5-methylthiophen-2-yl)azulen-1-yl]silane.
What is the SMILES notation for cyclopenta-2,4-dien-1-yl-dimethyl-[4-(5-methylthiophen-2-yl)azulen-1-yl]silane?
The canonical SMILES for cyclopenta-2,4-dien-1-yl-dimethyl-[4-(5-methylthiophen-2-yl)azulen-1-yl]silane is Cc1ccc(-c2ccccc3c([Si](C)(C)C4C=CC=C4)ccc2-3)s1.
What is the InChIKey of cyclopenta-2,4-dien-1-yl-dimethyl-[4-(5-methylthiophen-2-yl)azulen-1-yl]silane?
The InChIKey is JYEPTUVPQDGQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22SSi/c1-16-12-14-21(23-16)19-10-6-7-11-20-18(19)13-15-22(20)24(2,3)17-8-4-5-9-17/h4-15,17H,1-3H3.
What are the key properties of cyclopenta-2,4-dien-1-yl-dimethyl-[4-(5-methylthiophen-2-yl)azulen-1-yl]silane?
cyclopenta-2,4-dien-1-yl-dimethyl-[4-(5-methylthiophen-2-yl)azulen-1-yl]silane has a molecular weight of 346.57 g/mol, XLogP of 6.24, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-2,4-dien-1-yl-dimethyl-[4-(5-methylthiophen-2-yl)azulen-1-yl]silane is sourced from PubChem (CID 155796726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).