CID 45050200

C22H38Si — CID 45050200

IUPAC—
SMILESCCCCCCCCCCCCCCCC[Si]c1ccccc1
InChIInChI=1S/C22H38Si/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-23-22-19-16-15-17-20-22/h15-17,19-20H,2-14,18,21H2,1H3
InChIKeyVLMMODBYDLGIEE-UHFFFAOYSA-N
MW330.63 g/mol
LogP6.92
Rot. Bonds16

About CID 45050200

CID 45050200 (PubChem CID 45050200) has the molecular formula C22H38Si and a molecular weight of 330.63 g/mol.

Molecular Properties

Compound NameCID 45050200
PubChem CID45050200
Molecular FormulaC22H38Si
Molecular Weight330.63 g/mol
Exact Mass330.27
IUPAC Name—
SMILESCCCCCCCCCCCCCCCC[Si]c1ccccc1
InChIInChI=1S/C22H38Si/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-23-22-19-16-15-17-20-22/h15-17,19-20H,2-14,18,21H2,1H3
InChIKeyVLMMODBYDLGIEE-UHFFFAOYSA-N
XLogP6.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.63
LogP ≤ 56.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 45050200?
The IUPAC name of CID 45050200 (CID 45050200) is not available.
What is the SMILES notation for CID 45050200?
The canonical SMILES for CID 45050200 is CCCCCCCCCCCCCCCC[Si]c1ccccc1.
What is the InChIKey of CID 45050200?
The InChIKey is VLMMODBYDLGIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38Si/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-23-22-19-16-15-17-20-22/h15-17,19-20H,2-14,18,21H2,1H3.
What are the key properties of CID 45050200?
CID 45050200 has a molecular weight of 330.63 g/mol, XLogP of 6.92, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 45050200 is sourced from PubChem (CID 45050200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).