CID 170598325

C17H36NO3Sb — CID 170598325

IUPAC—
SMILESCC(C)O.CC1CCCCC1.CCC(=O)NCC(C)=O.C[Sb]
InChIInChI=1S/C7H14.C6H11NO2.C3H8O.CH3.Sb/c1-7-5-3-2-4-6-7;1-3-6(9)7-4-5(2)8;1-3(2)4;;/h7H,2-6H2,1H3;3-4H2,1-2H3,(H,7,9);3-4H,1-2H3;1H3;
InChIKeyYLEZSOBDPDJWFN-UHFFFAOYSA-N
MW424.24 g/mol
LogP3.28
Rot. Bonds3

About CID 170598325

CID 170598325 (PubChem CID 170598325) has the molecular formula C17H36NO3Sb and a molecular weight of 424.24 g/mol.

Molecular Properties

Compound NameCID 170598325
PubChem CID170598325
Molecular FormulaC17H36NO3Sb
Molecular Weight424.24 g/mol
Exact Mass423.17
IUPAC Name—
SMILESCC(C)O.CC1CCCCC1.CCC(=O)NCC(C)=O.C[Sb]
InChIInChI=1S/C7H14.C6H11NO2.C3H8O.CH3.Sb/c1-7-5-3-2-4-6-7;1-3-6(9)7-4-5(2)8;1-3(2)4;;/h7H,2-6H2,1H3;3-4H2,1-2H3,(H,7,9);3-4H,1-2H3;1H3;
InChIKeyYLEZSOBDPDJWFN-UHFFFAOYSA-N
XLogP3.28
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.24
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 170598325?
The IUPAC name of CID 170598325 (CID 170598325) is not available.
What is the SMILES notation for CID 170598325?
The canonical SMILES for CID 170598325 is CC(C)O.CC1CCCCC1.CCC(=O)NCC(C)=O.C[Sb].
What is the InChIKey of CID 170598325?
The InChIKey is YLEZSOBDPDJWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14.C6H11NO2.C3H8O.CH3.Sb/c1-7-5-3-2-4-6-7;1-3-6(9)7-4-5(2)8;1-3(2)4;;/h7H,2-6H2,1H3;3-4H2,1-2H3,(H,7,9);3-4H,1-2H3;1H3;.
What are the key properties of CID 170598325?
CID 170598325 has a molecular weight of 424.24 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 170598325 is sourced from PubChem (CID 170598325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).