CID 140788704

C15H17OSi — CID 140788704

IUPAC—
SMILESCC(C)(O)c1cccc2c(CC[Si])cccc12
InChIInChI=1S/C15H17OSi/c1-15(2,16)14-8-4-6-12-11(9-10-17)5-3-7-13(12)14/h3-8,16H,9-10H2,1-2H3
InChIKeyBBEXYBPXIIVOQW-UHFFFAOYSA-N
MW241.39 g/mol
LogP3.20
Rot. Bonds3

About CID 140788704

CID 140788704 (PubChem CID 140788704) has the molecular formula C15H17OSi and a molecular weight of 241.39 g/mol.

Molecular Properties

Compound NameCID 140788704
PubChem CID140788704
Molecular FormulaC15H17OSi
Molecular Weight241.39 g/mol
Exact Mass241.10
IUPAC Name—
SMILESCC(C)(O)c1cccc2c(CC[Si])cccc12
InChIInChI=1S/C15H17OSi/c1-15(2,16)14-8-4-6-12-11(9-10-17)5-3-7-13(12)14/h3-8,16H,9-10H2,1-2H3
InChIKeyBBEXYBPXIIVOQW-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 140788704?
The IUPAC name of CID 140788704 (CID 140788704) is not available.
What is the SMILES notation for CID 140788704?
The canonical SMILES for CID 140788704 is CC(C)(O)c1cccc2c(CC[Si])cccc12.
What is the InChIKey of CID 140788704?
The InChIKey is BBEXYBPXIIVOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17OSi/c1-15(2,16)14-8-4-6-12-11(9-10-17)5-3-7-13(12)14/h3-8,16H,9-10H2,1-2H3.
What are the key properties of CID 140788704?
CID 140788704 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 140788704 is sourced from PubChem (CID 140788704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).