CID 70020027

C20H21SSi — CID 70020027

IUPAC—
SMILESCC1=CC=C2SC(C)=C(C)C12.CC1=Cc2ccccc2C1[Si]
InChIInChI=1S/C10H12S.C10H9Si/c1-6-4-5-9-10(6)7(2)8(3)11-9;1-7-6-8-4-2-3-5-9(8)10(7)11/h4-5,10H,1-3H3;2-6,10H,1H3
InChIKeyFWLFORHVNDUGHG-UHFFFAOYSA-N
MW321.54 g/mol
LogP5.80
Rot. Bonds

About CID 70020027

CID 70020027 (PubChem CID 70020027) has the molecular formula C20H21SSi and a molecular weight of 321.54 g/mol.

Molecular Properties

Compound NameCID 70020027
PubChem CID70020027
Molecular FormulaC20H21SSi
Molecular Weight321.54 g/mol
Exact Mass321.11
IUPAC Name—
SMILESCC1=CC=C2SC(C)=C(C)C12.CC1=Cc2ccccc2C1[Si]
InChIInChI=1S/C10H12S.C10H9Si/c1-6-4-5-9-10(6)7(2)8(3)11-9;1-7-6-8-4-2-3-5-9(8)10(7)11/h4-5,10H,1-3H3;2-6,10H,1H3
InChIKeyFWLFORHVNDUGHG-UHFFFAOYSA-N
XLogP5.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.54
LogP ≤ 55.80
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 70020027?
The IUPAC name of CID 70020027 (CID 70020027) is not available.
What is the SMILES notation for CID 70020027?
The canonical SMILES for CID 70020027 is CC1=CC=C2SC(C)=C(C)C12.CC1=Cc2ccccc2C1[Si].
What is the InChIKey of CID 70020027?
The InChIKey is FWLFORHVNDUGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12S.C10H9Si/c1-6-4-5-9-10(6)7(2)8(3)11-9;1-7-6-8-4-2-3-5-9(8)10(7)11/h4-5,10H,1-3H3;2-6,10H,1H3.
What are the key properties of CID 70020027?
CID 70020027 has a molecular weight of 321.54 g/mol, XLogP of 5.80, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70020027 is sourced from PubChem (CID 70020027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).