CID 137295730

C21H29Si2 — CID 137295730

IUPAC—
SMILESCC(C)[Si](c1ccc2ccccc2c1C#C[Si](C)(C)C)C(C)C
InChIInChI=1S/C21H29Si2/c1-16(2)22(17(3)4)21-13-12-18-10-8-9-11-19(18)20(21)14-15-23(5,6)7/h8-13,16-17H,1-7H3
InChIKeyVRSNIZYLYSQSRU-UHFFFAOYSA-N
MW337.64 g/mol
LogP5.59
Rot. Bonds3

About CID 137295730

CID 137295730 (PubChem CID 137295730) has the molecular formula C21H29Si2 and a molecular weight of 337.64 g/mol.

Molecular Properties

Compound NameCID 137295730
PubChem CID137295730
Molecular FormulaC21H29Si2
Molecular Weight337.64 g/mol
Exact Mass337.18
IUPAC Name—
SMILESCC(C)[Si](c1ccc2ccccc2c1C#C[Si](C)(C)C)C(C)C
InChIInChI=1S/C21H29Si2/c1-16(2)22(17(3)4)21-13-12-18-10-8-9-11-19(18)20(21)14-15-23(5,6)7/h8-13,16-17H,1-7H3
InChIKeyVRSNIZYLYSQSRU-UHFFFAOYSA-N
XLogP5.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.64
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 137295730?
The IUPAC name of CID 137295730 (CID 137295730) is not available.
What is the SMILES notation for CID 137295730?
The canonical SMILES for CID 137295730 is CC(C)[Si](c1ccc2ccccc2c1C#C[Si](C)(C)C)C(C)C.
What is the InChIKey of CID 137295730?
The InChIKey is VRSNIZYLYSQSRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29Si2/c1-16(2)22(17(3)4)21-13-12-18-10-8-9-11-19(18)20(21)14-15-23(5,6)7/h8-13,16-17H,1-7H3.
What are the key properties of CID 137295730?
CID 137295730 has a molecular weight of 337.64 g/mol, XLogP of 5.59, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 137295730 is sourced from PubChem (CID 137295730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).