CID 140993072

C11H13O2Si — CID 140993072

IUPAC—
SMILESCO[Si](OC)C1C=Cc2ccccc21
InChIInChI=1S/C11H13O2Si/c1-12-14(13-2)11-8-7-9-5-3-4-6-10(9)11/h3-8,11H,1-2H3
InChIKeyMDYMURDBCVQSIO-UHFFFAOYSA-N
MW205.31 g/mol
LogP2.12
Rot. Bonds3

About CID 140993072

CID 140993072 (PubChem CID 140993072) has the molecular formula C11H13O2Si and a molecular weight of 205.31 g/mol.

Molecular Properties

Compound NameCID 140993072
PubChem CID140993072
Molecular FormulaC11H13O2Si
Molecular Weight205.31 g/mol
Exact Mass205.07
IUPAC Name—
SMILESCO[Si](OC)C1C=Cc2ccccc21
InChIInChI=1S/C11H13O2Si/c1-12-14(13-2)11-8-7-9-5-3-4-6-10(9)11/h3-8,11H,1-2H3
InChIKeyMDYMURDBCVQSIO-UHFFFAOYSA-N
XLogP2.12
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 140993072?
The IUPAC name of CID 140993072 (CID 140993072) is not available.
What is the SMILES notation for CID 140993072?
The canonical SMILES for CID 140993072 is CO[Si](OC)C1C=Cc2ccccc21.
What is the InChIKey of CID 140993072?
The InChIKey is MDYMURDBCVQSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13O2Si/c1-12-14(13-2)11-8-7-9-5-3-4-6-10(9)11/h3-8,11H,1-2H3.
What are the key properties of CID 140993072?
CID 140993072 has a molecular weight of 205.31 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140993072 is sourced from PubChem (CID 140993072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).