CID 140788547

C18H17OSi — CID 140788547

IUPAC—
SMILESCC(O)c1cccc2c(CC[Si])c3ccccc3cc12
InChIInChI=1S/C18H17OSi/c1-12(19)14-7-4-8-16-17(9-10-20)15-6-3-2-5-13(15)11-18(14)16/h2-8,11-12,19H,9-10H2,1H3
InChIKeyNIJUGRKHYJDZHD-UHFFFAOYSA-N
MW277.42 g/mol
LogP4.18
Rot. Bonds3

About CID 140788547

CID 140788547 (PubChem CID 140788547) has the molecular formula C18H17OSi and a molecular weight of 277.42 g/mol.

Molecular Properties

Compound NameCID 140788547
PubChem CID140788547
Molecular FormulaC18H17OSi
Molecular Weight277.42 g/mol
Exact Mass277.10
IUPAC Name—
SMILESCC(O)c1cccc2c(CC[Si])c3ccccc3cc12
InChIInChI=1S/C18H17OSi/c1-12(19)14-7-4-8-16-17(9-10-20)15-6-3-2-5-13(15)11-18(14)16/h2-8,11-12,19H,9-10H2,1H3
InChIKeyNIJUGRKHYJDZHD-UHFFFAOYSA-N
XLogP4.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 140788547?
The IUPAC name of CID 140788547 (CID 140788547) is not available.
What is the SMILES notation for CID 140788547?
The canonical SMILES for CID 140788547 is CC(O)c1cccc2c(CC[Si])c3ccccc3cc12.
What is the InChIKey of CID 140788547?
The InChIKey is NIJUGRKHYJDZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17OSi/c1-12(19)14-7-4-8-16-17(9-10-20)15-6-3-2-5-13(15)11-18(14)16/h2-8,11-12,19H,9-10H2,1H3.
What are the key properties of CID 140788547?
CID 140788547 has a molecular weight of 277.42 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140788547 is sourced from PubChem (CID 140788547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).