CID 140788625

C14H15OSi — CID 140788625

IUPAC
SMILESCOC(C)(C)c1ccc2cc([Si])ccc2c1
InChIInChI=1S/C14H15OSi/c1-14(2,15-3)12-6-4-11-9-13(16)7-5-10(11)8-12/h4-9H,1-3H3
InChIKeyZWCOTTQUHMDYKN-UHFFFAOYSA-N
MW227.36 g/mol
LogP2.52
Rot. Bonds2

About CID 140788625

CID 140788625 (PubChem CID 140788625) has the molecular formula C14H15OSi and a molecular weight of 227.36 g/mol.

Molecular Properties

Compound NameCID 140788625
PubChem CID140788625
Molecular FormulaC14H15OSi
Molecular Weight227.36 g/mol
Exact Mass227.09
IUPAC Name
SMILESCOC(C)(C)c1ccc2cc([Si])ccc2c1
InChIInChI=1S/C14H15OSi/c1-14(2,15-3)12-6-4-11-9-13(16)7-5-10(11)8-12/h4-9H,1-3H3
InChIKeyZWCOTTQUHMDYKN-UHFFFAOYSA-N
XLogP2.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.36
LogP ≤ 52.52
H-Bond Donors ≤ 50
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 140788625?
The IUPAC name of CID 140788625 (CID 140788625) is not available.
What is the SMILES notation for CID 140788625?
The canonical SMILES for CID 140788625 is COC(C)(C)c1ccc2cc([Si])ccc2c1.
What is the InChIKey of CID 140788625?
The InChIKey is ZWCOTTQUHMDYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15OSi/c1-14(2,15-3)12-6-4-11-9-13(16)7-5-10(11)8-12/h4-9H,1-3H3.
What are the key properties of CID 140788625?
CID 140788625 has a molecular weight of 227.36 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140788625 is sourced from PubChem (CID 140788625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).