CID 67789680

C10H11OSi — CID 67789680

IUPAC—
SMILESC=C[Si].C=Cc1ccccc1O
InChIInChI=1S/C8H8O.C2H3Si/c1-2-7-5-3-4-6-8(7)9;1-2-3/h2-6,9H,1H2;2H,1H2
InChIKeyGASQKZNZJZAMHO-UHFFFAOYSA-N
MW175.28 g/mol
LogP2.33
Rot. Bonds1

About CID 67789680

CID 67789680 (PubChem CID 67789680) has the molecular formula C10H11OSi and a molecular weight of 175.28 g/mol.

Molecular Properties

Compound NameCID 67789680
PubChem CID67789680
Molecular FormulaC10H11OSi
Molecular Weight175.28 g/mol
Exact Mass175.06
IUPAC Name—
SMILESC=C[Si].C=Cc1ccccc1O
InChIInChI=1S/C8H8O.C2H3Si/c1-2-7-5-3-4-6-8(7)9;1-2-3/h2-6,9H,1H2;2H,1H2
InChIKeyGASQKZNZJZAMHO-UHFFFAOYSA-N
XLogP2.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 52.33
H-Bond Donors ≤ 51
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 67789680?
The IUPAC name of CID 67789680 (CID 67789680) is not available.
What is the SMILES notation for CID 67789680?
The canonical SMILES for CID 67789680 is C=C[Si].C=Cc1ccccc1O.
What is the InChIKey of CID 67789680?
The InChIKey is GASQKZNZJZAMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O.C2H3Si/c1-2-7-5-3-4-6-8(7)9;1-2-3/h2-6,9H,1H2;2H,1H2.
What are the key properties of CID 67789680?
CID 67789680 has a molecular weight of 175.28 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67789680 is sourced from PubChem (CID 67789680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).