CID 68732917

C14H20OSi — CID 68732917

IUPAC—
SMILESC=Cc1ccc(O[Si]C(C)(C)C)c(C)c1C
InChIInChI=1S/C14H20OSi/c1-7-12-8-9-13(11(3)10(12)2)15-16-14(4,5)6/h7-9H,1H2,2-6H3
InChIKeyJSYXGGMXWJAZMI-UHFFFAOYSA-N
MW232.40 g/mol
LogP4.16
Rot. Bonds3

About CID 68732917

CID 68732917 (PubChem CID 68732917) has the molecular formula C14H20OSi and a molecular weight of 232.40 g/mol.

Molecular Properties

Compound NameCID 68732917
PubChem CID68732917
Molecular FormulaC14H20OSi
Molecular Weight232.40 g/mol
Exact Mass232.13
IUPAC Name—
SMILESC=Cc1ccc(O[Si]C(C)(C)C)c(C)c1C
InChIInChI=1S/C14H20OSi/c1-7-12-8-9-13(11(3)10(12)2)15-16-14(4,5)6/h7-9H,1H2,2-6H3
InChIKeyJSYXGGMXWJAZMI-UHFFFAOYSA-N
XLogP4.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.40
LogP ≤ 54.16
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 68732917?
The IUPAC name of CID 68732917 (CID 68732917) is not available.
What is the SMILES notation for CID 68732917?
The canonical SMILES for CID 68732917 is C=Cc1ccc(O[Si]C(C)(C)C)c(C)c1C.
What is the InChIKey of CID 68732917?
The InChIKey is JSYXGGMXWJAZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20OSi/c1-7-12-8-9-13(11(3)10(12)2)15-16-14(4,5)6/h7-9H,1H2,2-6H3.
What are the key properties of CID 68732917?
CID 68732917 has a molecular weight of 232.40 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 68732917 is sourced from PubChem (CID 68732917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).