CID 140788774

C15H17OSi — CID 140788774

IUPAC—
SMILESCC(C)(O)c1ccc(CC[Si])c2ccccc12
InChIInChI=1S/C15H17OSi/c1-15(2,16)14-8-7-11(9-10-17)12-5-3-4-6-13(12)14/h3-8,16H,9-10H2,1-2H3
InChIKeyDIYTYRCFMWOACX-UHFFFAOYSA-N
MW241.39 g/mol
LogP3.20
Rot. Bonds3

About CID 140788774

CID 140788774 (PubChem CID 140788774) has the molecular formula C15H17OSi and a molecular weight of 241.39 g/mol.

Molecular Properties

Compound NameCID 140788774
PubChem CID140788774
Molecular FormulaC15H17OSi
Molecular Weight241.39 g/mol
Exact Mass241.10
IUPAC Name—
SMILESCC(C)(O)c1ccc(CC[Si])c2ccccc12
InChIInChI=1S/C15H17OSi/c1-15(2,16)14-8-7-11(9-10-17)12-5-3-4-6-13(12)14/h3-8,16H,9-10H2,1-2H3
InChIKeyDIYTYRCFMWOACX-UHFFFAOYSA-N
XLogP3.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.39
LogP ≤ 53.20
H-Bond Donors ≤ 51
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 CID 140788774?
The IUPAC name of CID 140788774 (CID 140788774) is not available.
What is the SMILES notation for CID 140788774?
The canonical SMILES for CID 140788774 is CC(C)(O)c1ccc(CC[Si])c2ccccc12.
What is the InChIKey of CID 140788774?
The InChIKey is DIYTYRCFMWOACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17OSi/c1-15(2,16)14-8-7-11(9-10-17)12-5-3-4-6-13(12)14/h3-8,16H,9-10H2,1-2H3.
What are the key properties of CID 140788774?
CID 140788774 has a molecular weight of 241.39 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140788774 is sourced from PubChem (CID 140788774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).