decanedioic acid;bis(1,2,2,6,6-pentamethylpiperidine)

C30H60N2O4 — CID 15752115

IUPACdecanedioic acid;bis(1,2,2,6,6-pentamethylpiperidine)
SMILESCN1C(C)(C)CCCC1(C)C.CN1C(C)(C)CCCC1(C)C.O=C(O)CCCCCCCCC(=O)O
InChIInChI=1S/2C10H21N.C10H18O4/c2*1-9(2)7-6-8-10(3,4)11(9)5;11-9(12)7-5-3-1-2-4-6-8-10(13)14/h2*6-8H2,1-5H3;1-8H2,(H,11,12)(H,13,14)
InChIKeyMYXSCAVZPOISQG-UHFFFAOYSA-N
MW512.82 g/mol
LogP7.59
Rot. Bonds9

About decanedioic acid;bis(1,2,2,6,6-pentamethylpiperidine)

decanedioic acid;bis(1,2,2,6,6-pentamethylpiperidine) (PubChem CID 15752115) has the molecular formula C30H60N2O4 and a molecular weight of 512.82 g/mol. Its IUPAC name is decanedioic acid;bis(1,2,2,6,6-pentamethylpiperidine).

Molecular Properties

Compound Namedecanedioic acid;bis(1,2,2,6,6-pentamethylpiperidine)
PubChem CID15752115
Molecular FormulaC30H60N2O4
Molecular Weight512.82 g/mol
Exact Mass512.46
IUPAC Namedecanedioic acid;bis(1,2,2,6,6-pentamethylpiperidine)
SMILESCN1C(C)(C)CCCC1(C)C.CN1C(C)(C)CCCC1(C)C.O=C(O)CCCCCCCCC(=O)O
InChIInChI=1S/2C10H21N.C10H18O4/c2*1-9(2)7-6-8-10(3,4)11(9)5;11-9(12)7-5-3-1-2-4-6-8-10(13)14/h2*6-8H2,1-5H3;1-8H2,(H,11,12)(H,13,14)
InChIKeyMYXSCAVZPOISQG-UHFFFAOYSA-N
XLogP7.59
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.82
LogP ≤ 57.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of decanedioic acid;bis(1,2,2,6,6-pentamethylpiperidine)?
The IUPAC name of decanedioic acid;bis(1,2,2,6,6-pentamethylpiperidine) (CID 15752115) is decanedioic acid;bis(1,2,2,6,6-pentamethylpiperidine).
What is the SMILES notation for decanedioic acid;bis(1,2,2,6,6-pentamethylpiperidine)?
The canonical SMILES for decanedioic acid;bis(1,2,2,6,6-pentamethylpiperidine) is CN1C(C)(C)CCCC1(C)C.CN1C(C)(C)CCCC1(C)C.O=C(O)CCCCCCCCC(=O)O.
What is the InChIKey of decanedioic acid;bis(1,2,2,6,6-pentamethylpiperidine)?
The InChIKey is MYXSCAVZPOISQG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H21N.C10H18O4/c2*1-9(2)7-6-8-10(3,4)11(9)5;11-9(12)7-5-3-1-2-4-6-8-10(13)14/h2*6-8H2,1-5H3;1-8H2,(H,11,12)(H,13,14).
What are the key properties of decanedioic acid;bis(1,2,2,6,6-pentamethylpiperidine)?
decanedioic acid;bis(1,2,2,6,6-pentamethylpiperidine) has a molecular weight of 512.82 g/mol, XLogP of 7.59, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for decanedioic acid;bis(1,2,2,6,6-pentamethylpiperidine) is sourced from PubChem (CID 15752115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).