chloro-dimethyl-(2-methyl-3-phenyl-5-propan-2-yl-6H-cyclopenta[b]thiophen-6-yl)silane

C19H23ClSSi — CID 11325463

IUPACchloro-dimethyl-(2-methyl-3-phenyl-5-propan-2-yl-6H-cyclopenta[b]thiophen-6-yl)silane
SMILESCc1sc2c(c1-c1ccccc1)C=C(C(C)C)C2[Si](C)(C)Cl
InChIInChI=1S/C19H23ClSSi/c1-12(2)15-11-16-17(14-9-7-6-8-10-14)13(3)21-18(16)19(15)22(4,5)20/h6-12,19H,1-5H3
InChIKeyCJBGGPKSEGAHFQ-UHFFFAOYSA-N
MW347.00 g/mol
LogP6.84
Rot. Bonds3

About chloro-dimethyl-(2-methyl-3-phenyl-5-propan-2-yl-6H-cyclopenta[b]thiophen-6-yl)silane

chloro-dimethyl-(2-methyl-3-phenyl-5-propan-2-yl-6H-cyclopenta[b]thiophen-6-yl)silane (PubChem CID 11325463) has the molecular formula C19H23ClSSi and a molecular weight of 347.00 g/mol. Its IUPAC name is chloro-dimethyl-(2-methyl-3-phenyl-5-propan-2-yl-6H-cyclopenta[b]thiophen-6-yl)silane.

Molecular Properties

Compound Namechloro-dimethyl-(2-methyl-3-phenyl-5-propan-2-yl-6H-cyclopenta[b]thiophen-6-yl)silane
PubChem CID11325463
Molecular FormulaC19H23ClSSi
Molecular Weight347.00 g/mol
Exact Mass346.10
IUPAC Namechloro-dimethyl-(2-methyl-3-phenyl-5-propan-2-yl-6H-cyclopenta[b]thiophen-6-yl)silane
SMILESCc1sc2c(c1-c1ccccc1)C=C(C(C)C)C2[Si](C)(C)Cl
InChIInChI=1S/C19H23ClSSi/c1-12(2)15-11-16-17(14-9-7-6-8-10-14)13(3)21-18(16)19(15)22(4,5)20/h6-12,19H,1-5H3
InChIKeyCJBGGPKSEGAHFQ-UHFFFAOYSA-N
XLogP6.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.00
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chloro-dimethyl-(2-methyl-3-phenyl-5-propan-2-yl-6H-cyclopenta[b]thiophen-6-yl)silane?
The IUPAC name of chloro-dimethyl-(2-methyl-3-phenyl-5-propan-2-yl-6H-cyclopenta[b]thiophen-6-yl)silane (CID 11325463) is chloro-dimethyl-(2-methyl-3-phenyl-5-propan-2-yl-6H-cyclopenta[b]thiophen-6-yl)silane.
What is the SMILES notation for chloro-dimethyl-(2-methyl-3-phenyl-5-propan-2-yl-6H-cyclopenta[b]thiophen-6-yl)silane?
The canonical SMILES for chloro-dimethyl-(2-methyl-3-phenyl-5-propan-2-yl-6H-cyclopenta[b]thiophen-6-yl)silane is Cc1sc2c(c1-c1ccccc1)C=C(C(C)C)C2[Si](C)(C)Cl.
What is the InChIKey of chloro-dimethyl-(2-methyl-3-phenyl-5-propan-2-yl-6H-cyclopenta[b]thiophen-6-yl)silane?
The InChIKey is CJBGGPKSEGAHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClSSi/c1-12(2)15-11-16-17(14-9-7-6-8-10-14)13(3)21-18(16)19(15)22(4,5)20/h6-12,19H,1-5H3.
What are the key properties of chloro-dimethyl-(2-methyl-3-phenyl-5-propan-2-yl-6H-cyclopenta[b]thiophen-6-yl)silane?
chloro-dimethyl-(2-methyl-3-phenyl-5-propan-2-yl-6H-cyclopenta[b]thiophen-6-yl)silane has a molecular weight of 347.00 g/mol, XLogP of 6.84, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-dimethyl-(2-methyl-3-phenyl-5-propan-2-yl-6H-cyclopenta[b]thiophen-6-yl)silane is sourced from PubChem (CID 11325463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).