CID 170852898

C24H52OSiSn — CID 170852898

IUPAC—
SMILES[CH2]CCC.[CH2]CCC.[CH2]CCC.[CH]=CCC(C)(CCCC)O[Si](C)(C)C.[Sn]
InChIInChI=1S/C12H25OSi.3C4H9.Sn/c1-7-9-11-12(3,10-8-2)13-14(4,5)6;3*1-3-4-2;/h2,8H,7,9-11H2,1,3-6H3;3*1,3-4H2,2H3;
InChIKeyQPDPSYPQQVBCLH-UHFFFAOYSA-N
MW503.48 g/mol
LogP8.65
Rot. Bonds10

About CID 170852898

CID 170852898 (PubChem CID 170852898) has the molecular formula C24H52OSiSn and a molecular weight of 503.48 g/mol.

Molecular Properties

Compound NameCID 170852898
PubChem CID170852898
Molecular FormulaC24H52OSiSn
Molecular Weight503.48 g/mol
Exact Mass504.28
IUPAC Name—
SMILES[CH2]CCC.[CH2]CCC.[CH2]CCC.[CH]=CCC(C)(CCCC)O[Si](C)(C)C.[Sn]
InChIInChI=1S/C12H25OSi.3C4H9.Sn/c1-7-9-11-12(3,10-8-2)13-14(4,5)6;3*1-3-4-2;/h2,8H,7,9-11H2,1,3-6H3;3*1,3-4H2,2H3;
InChIKeyQPDPSYPQQVBCLH-UHFFFAOYSA-N
XLogP8.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.48
LogP ≤ 58.65
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 170852898?
The IUPAC name of CID 170852898 (CID 170852898) is not available.
What is the SMILES notation for CID 170852898?
The canonical SMILES for CID 170852898 is [CH2]CCC.[CH2]CCC.[CH2]CCC.[CH]=CCC(C)(CCCC)O[Si](C)(C)C.[Sn].
What is the InChIKey of CID 170852898?
The InChIKey is QPDPSYPQQVBCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25OSi.3C4H9.Sn/c1-7-9-11-12(3,10-8-2)13-14(4,5)6;3*1-3-4-2;/h2,8H,7,9-11H2,1,3-6H3;3*1,3-4H2,2H3;.
What are the key properties of CID 170852898?
CID 170852898 has a molecular weight of 503.48 g/mol, XLogP of 8.65, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 170852898 is sourced from PubChem (CID 170852898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).