CID 87370184

C16H20OSi — CID 87370184

IUPAC—
SMILESC1=Cc2ccccc21.C1CC[Si]OC1.C=CC=C
InChIInChI=1S/C8H6.C4H8OSi.C4H6/c1-2-4-8-6-5-7(8)3-1;1-2-4-6-5-3-1;1-3-4-2/h1-6H;1-4H2;3-4H,1-2H2
InChIKeyBXBOTHJDVHLBPS-UHFFFAOYSA-N
MW256.42 g/mol
LogP4.36
Rot. Bonds1

About CID 87370184

CID 87370184 (PubChem CID 87370184) has the molecular formula C16H20OSi and a molecular weight of 256.42 g/mol.

Molecular Properties

Compound NameCID 87370184
PubChem CID87370184
Molecular FormulaC16H20OSi
Molecular Weight256.42 g/mol
Exact Mass256.13
IUPAC Name—
SMILESC1=Cc2ccccc21.C1CC[Si]OC1.C=CC=C
InChIInChI=1S/C8H6.C4H8OSi.C4H6/c1-2-4-8-6-5-7(8)3-1;1-2-4-6-5-3-1;1-3-4-2/h1-6H;1-4H2;3-4H,1-2H2
InChIKeyBXBOTHJDVHLBPS-UHFFFAOYSA-N
XLogP4.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.42
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 87370184?
The IUPAC name of CID 87370184 (CID 87370184) is not available.
What is the SMILES notation for CID 87370184?
The canonical SMILES for CID 87370184 is C1=Cc2ccccc21.C1CC[Si]OC1.C=CC=C.
What is the InChIKey of CID 87370184?
The InChIKey is BXBOTHJDVHLBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6.C4H8OSi.C4H6/c1-2-4-8-6-5-7(8)3-1;1-2-4-6-5-3-1;1-3-4-2/h1-6H;1-4H2;3-4H,1-2H2.
What are the key properties of CID 87370184?
CID 87370184 has a molecular weight of 256.42 g/mol, XLogP of 4.36, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87370184 is sourced from PubChem (CID 87370184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).