CID 175543701

C10H25NO4Se2Si — CID 175543701

IUPAC—
SMILESCCCC(N)=O.CCC[Si](OC)(OC)OC.[Se]=[Se]
InChIInChI=1S/C6H16O3Si.C4H9NO.Se2/c1-5-6-10(7-2,8-3)9-4;1-2-3-4(5)6;1-2/h5-6H2,1-4H3;2-3H2,1H3,(H2,5,6);
InChIKeyCDGWSHOKAAHRMH-UHFFFAOYSA-N
MW409.32 g/mol
LogP0.78
Rot. Bonds7

About CID 175543701

CID 175543701 (PubChem CID 175543701) has the molecular formula C10H25NO4Se2Si and a molecular weight of 409.32 g/mol.

Molecular Properties

Compound NameCID 175543701
PubChem CID175543701
Molecular FormulaC10H25NO4Se2Si
Molecular Weight409.32 g/mol
Exact Mass410.99
IUPAC Name—
SMILESCCCC(N)=O.CCC[Si](OC)(OC)OC.[Se]=[Se]
InChIInChI=1S/C6H16O3Si.C4H9NO.Se2/c1-5-6-10(7-2,8-3)9-4;1-2-3-4(5)6;1-2/h5-6H2,1-4H3;2-3H2,1H3,(H2,5,6);
InChIKeyCDGWSHOKAAHRMH-UHFFFAOYSA-N
XLogP0.78
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.32
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 175543701?
The IUPAC name of CID 175543701 (CID 175543701) is not available.
What is the SMILES notation for CID 175543701?
The canonical SMILES for CID 175543701 is CCCC(N)=O.CCC[Si](OC)(OC)OC.[Se]=[Se].
What is the InChIKey of CID 175543701?
The InChIKey is CDGWSHOKAAHRMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16O3Si.C4H9NO.Se2/c1-5-6-10(7-2,8-3)9-4;1-2-3-4(5)6;1-2/h5-6H2,1-4H3;2-3H2,1H3,(H2,5,6);.
What are the key properties of CID 175543701?
CID 175543701 has a molecular weight of 409.32 g/mol, XLogP of 0.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175543701 is sourced from PubChem (CID 175543701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).