CID 67610708

C15H18NO2Si — CID 67610708

IUPAC—
SMILESCOc1c(O)ccc(-c2ccc(N)cc2)c1[Si](C)C
InChIInChI=1S/C15H18NO2Si/c1-18-14-13(17)9-8-12(15(14)19(2)3)10-4-6-11(16)7-5-10/h4-9,17H,16H2,1-3H3
InChIKeyQYRLVULVGMFBAX-UHFFFAOYSA-N
MW272.40 g/mol
LogP2.61
Rot. Bonds3

About CID 67610708

CID 67610708 (PubChem CID 67610708) has the molecular formula C15H18NO2Si and a molecular weight of 272.40 g/mol.

Molecular Properties

Compound NameCID 67610708
PubChem CID67610708
Molecular FormulaC15H18NO2Si
Molecular Weight272.40 g/mol
Exact Mass272.11
IUPAC Name—
SMILESCOc1c(O)ccc(-c2ccc(N)cc2)c1[Si](C)C
InChIInChI=1S/C15H18NO2Si/c1-18-14-13(17)9-8-12(15(14)19(2)3)10-4-6-11(16)7-5-10/h4-9,17H,16H2,1-3H3
InChIKeyQYRLVULVGMFBAX-UHFFFAOYSA-N
XLogP2.61
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 67610708?
The IUPAC name of CID 67610708 (CID 67610708) is not available.
What is the SMILES notation for CID 67610708?
The canonical SMILES for CID 67610708 is COc1c(O)ccc(-c2ccc(N)cc2)c1[Si](C)C.
What is the InChIKey of CID 67610708?
The InChIKey is QYRLVULVGMFBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18NO2Si/c1-18-14-13(17)9-8-12(15(14)19(2)3)10-4-6-11(16)7-5-10/h4-9,17H,16H2,1-3H3.
What are the key properties of CID 67610708?
CID 67610708 has a molecular weight of 272.40 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67610708 is sourced from PubChem (CID 67610708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).