CID 11572331

C14H17SSi — CID 11572331

IUPAC—
SMILESCCc1ccc(-c2ccc([Si](C)C)s2)cc1
InChIInChI=1S/C14H17SSi/c1-4-11-5-7-12(8-6-11)13-9-10-14(15-13)16(2)3/h5-10H,4H2,1-3H3
InChIKeyKLDOKCBNSOJAGZ-UHFFFAOYSA-N
MW245.44 g/mol
LogP3.94
Rot. Bonds3

About CID 11572331

CID 11572331 (PubChem CID 11572331) has the molecular formula C14H17SSi and a molecular weight of 245.44 g/mol.

Molecular Properties

Compound NameCID 11572331
PubChem CID11572331
Molecular FormulaC14H17SSi
Molecular Weight245.44 g/mol
Exact Mass245.08
IUPAC Name—
SMILESCCc1ccc(-c2ccc([Si](C)C)s2)cc1
InChIInChI=1S/C14H17SSi/c1-4-11-5-7-12(8-6-11)13-9-10-14(15-13)16(2)3/h5-10H,4H2,1-3H3
InChIKeyKLDOKCBNSOJAGZ-UHFFFAOYSA-N
XLogP3.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.44
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 139982263
2,3-dibromo-5-(4-ethylphenyl)thiophene
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CID 43287717
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Frequently Asked Questions

What is the IUPAC name of CID 11572331?
The IUPAC name of CID 11572331 (CID 11572331) is not available.
What is the SMILES notation for CID 11572331?
The canonical SMILES for CID 11572331 is CCc1ccc(-c2ccc([Si](C)C)s2)cc1.
What is the InChIKey of CID 11572331?
The InChIKey is KLDOKCBNSOJAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17SSi/c1-4-11-5-7-12(8-6-11)13-9-10-14(15-13)16(2)3/h5-10H,4H2,1-3H3.
What are the key properties of CID 11572331?
CID 11572331 has a molecular weight of 245.44 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11572331 is sourced from PubChem (CID 11572331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).