cyclobutane-1,1-dicarboxylic acid;(4-ethyloxan-4-yl)methylazanide;platinum(2+)

C14H23NO5Pt — CID 147713801

IUPACcyclobutane-1,1-dicarboxylic acid;(4-ethyloxan-4-yl)methylazanide;platinum(2+)
SMILESO=C(O)C1(C(=O)O)CCC1.[CH2-]CC1(C[NH-])CCOCC1.[Pt+2]
InChIInChI=1S/C8H15NO.C6H8O4.Pt/c1-2-8(7-9)3-5-10-6-4-8;7-4(8)6(5(9)10)2-1-3-6;/h9H,1-7H2;1-3H2,(H,7,8)(H,9,10);/q-2;;+2
InChIKeyCLCXLPXQJUKIEI-UHFFFAOYSA-N
MW480.42 g/mol
LogP2.38
Rot. Bonds4

About cyclobutane-1,1-dicarboxylic acid;(4-ethyloxan-4-yl)methylazanide;platinum(2+)

cyclobutane-1,1-dicarboxylic acid;(4-ethyloxan-4-yl)methylazanide;platinum(2+) (PubChem CID 147713801) has the molecular formula C14H23NO5Pt and a molecular weight of 480.42 g/mol. Its IUPAC name is cyclobutane-1,1-dicarboxylic acid;(4-ethyloxan-4-yl)methylazanide;platinum(2+).

Molecular Properties

Compound Namecyclobutane-1,1-dicarboxylic acid;(4-ethyloxan-4-yl)methylazanide;platinum(2+)
PubChem CID147713801
Molecular FormulaC14H23NO5Pt
Molecular Weight480.42 g/mol
Exact Mass480.12
IUPAC Namecyclobutane-1,1-dicarboxylic acid;(4-ethyloxan-4-yl)methylazanide;platinum(2+)
SMILESO=C(O)C1(C(=O)O)CCC1.[CH2-]CC1(C[NH-])CCOCC1.[Pt+2]
InChIInChI=1S/C8H15NO.C6H8O4.Pt/c1-2-8(7-9)3-5-10-6-4-8;7-4(8)6(5(9)10)2-1-3-6;/h9H,1-7H2;1-3H2,(H,7,8)(H,9,10);/q-2;;+2
InChIKeyCLCXLPXQJUKIEI-UHFFFAOYSA-N
XLogP2.38
TPSA107.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.42
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclobutane-1,1-dicarboxylic acid;(4-ethyloxan-4-yl)methylazanide;platinum(2+)?
The IUPAC name of cyclobutane-1,1-dicarboxylic acid;(4-ethyloxan-4-yl)methylazanide;platinum(2+) (CID 147713801) is cyclobutane-1,1-dicarboxylic acid;(4-ethyloxan-4-yl)methylazanide;platinum(2+).
What is the SMILES notation for cyclobutane-1,1-dicarboxylic acid;(4-ethyloxan-4-yl)methylazanide;platinum(2+)?
The canonical SMILES for cyclobutane-1,1-dicarboxylic acid;(4-ethyloxan-4-yl)methylazanide;platinum(2+) is O=C(O)C1(C(=O)O)CCC1.[CH2-]CC1(C[NH-])CCOCC1.[Pt+2].
What is the InChIKey of cyclobutane-1,1-dicarboxylic acid;(4-ethyloxan-4-yl)methylazanide;platinum(2+)?
The InChIKey is CLCXLPXQJUKIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO.C6H8O4.Pt/c1-2-8(7-9)3-5-10-6-4-8;7-4(8)6(5(9)10)2-1-3-6;/h9H,1-7H2;1-3H2,(H,7,8)(H,9,10);/q-2;;+2.
What are the key properties of cyclobutane-1,1-dicarboxylic acid;(4-ethyloxan-4-yl)methylazanide;platinum(2+)?
cyclobutane-1,1-dicarboxylic acid;(4-ethyloxan-4-yl)methylazanide;platinum(2+) has a molecular weight of 480.42 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutane-1,1-dicarboxylic acid;(4-ethyloxan-4-yl)methylazanide;platinum(2+) is sourced from PubChem (CID 147713801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).