CID 58897731

C20H31Si2 — CID 58897731

IUPAC—
SMILESC[Si](C)CC#CC12CC3CC(C1)CC(C#C[Si](C)(C)C)(C3)C2
InChIInChI=1S/C20H31Si2/c1-21(2)9-6-7-19-12-17-11-18(13-19)15-20(14-17,16-19)8-10-22(3,4)5/h17-18H,9,11-16H2,1-5H3
InChIKeyCTLIOZAEBNUCIA-UHFFFAOYSA-N
MW327.64 g/mol
LogP5.21
Rot. Bonds1

About CID 58897731

CID 58897731 (PubChem CID 58897731) has the molecular formula C20H31Si2 and a molecular weight of 327.64 g/mol.

Molecular Properties

Compound NameCID 58897731
PubChem CID58897731
Molecular FormulaC20H31Si2
Molecular Weight327.64 g/mol
Exact Mass327.20
IUPAC Name—
SMILESC[Si](C)CC#CC12CC3CC(C1)CC(C#C[Si](C)(C)C)(C3)C2
InChIInChI=1S/C20H31Si2/c1-21(2)9-6-7-19-12-17-11-18(13-19)15-20(14-17,16-19)8-10-22(3,4)5/h17-18H,9,11-16H2,1-5H3
InChIKeyCTLIOZAEBNUCIA-UHFFFAOYSA-N
XLogP5.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.64
LogP ≤ 55.21
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'}

Analyze CID 58897731 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 58897731?
The IUPAC name of CID 58897731 (CID 58897731) is not available.
What is the SMILES notation for CID 58897731?
The canonical SMILES for CID 58897731 is C[Si](C)CC#CC12CC3CC(C1)CC(C#C[Si](C)(C)C)(C3)C2.
What is the InChIKey of CID 58897731?
The InChIKey is CTLIOZAEBNUCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31Si2/c1-21(2)9-6-7-19-12-17-11-18(13-19)15-20(14-17,16-19)8-10-22(3,4)5/h17-18H,9,11-16H2,1-5H3.
What are the key properties of CID 58897731?
CID 58897731 has a molecular weight of 327.64 g/mol, XLogP of 5.21, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58897731 is sourced from PubChem (CID 58897731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).