CID 177490506

C25H30OSiSn — CID 177490506

IUPAC—
SMILESC=CCC(O[Si](c1ccccc1)c1ccccc1)c1ccccc1.C[Sn](C)C
InChIInChI=1S/C22H21OSi.3CH3.Sn/c1-2-12-22(19-13-6-3-7-14-19)23-24(20-15-8-4-9-16-20)21-17-10-5-11-18-21;;;;/h2-11,13-18,22H,1,12H2;3*1H3;
InChIKeyVWOJPPCKXGRWIZ-UHFFFAOYSA-N
MW493.31 g/mol
LogP5.50
Rot. Bonds7

About CID 177490506

CID 177490506 (PubChem CID 177490506) has the molecular formula C25H30OSiSn and a molecular weight of 493.31 g/mol.

Molecular Properties

Compound NameCID 177490506
PubChem CID177490506
Molecular FormulaC25H30OSiSn
Molecular Weight493.31 g/mol
Exact Mass494.11
IUPAC Name—
SMILESC=CCC(O[Si](c1ccccc1)c1ccccc1)c1ccccc1.C[Sn](C)C
InChIInChI=1S/C22H21OSi.3CH3.Sn/c1-2-12-22(19-13-6-3-7-14-19)23-24(20-15-8-4-9-16-20)21-17-10-5-11-18-21;;;;/h2-11,13-18,22H,1,12H2;3*1H3;
InChIKeyVWOJPPCKXGRWIZ-UHFFFAOYSA-N
XLogP5.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.31
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 177490506?
The IUPAC name of CID 177490506 (CID 177490506) is not available.
What is the SMILES notation for CID 177490506?
The canonical SMILES for CID 177490506 is C=CCC(O[Si](c1ccccc1)c1ccccc1)c1ccccc1.C[Sn](C)C.
What is the InChIKey of CID 177490506?
The InChIKey is VWOJPPCKXGRWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21OSi.3CH3.Sn/c1-2-12-22(19-13-6-3-7-14-19)23-24(20-15-8-4-9-16-20)21-17-10-5-11-18-21;;;;/h2-11,13-18,22H,1,12H2;3*1H3;.
What are the key properties of CID 177490506?
CID 177490506 has a molecular weight of 493.31 g/mol, XLogP of 5.50, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 177490506 is sourced from PubChem (CID 177490506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).