acetic acid;carbonocyanidic acid;bis(2,2,6,6-tetramethylpiperidine)

C24H47N3O6 — CID 175153115

IUPACacetic acid;carbonocyanidic acid;bis(2,2,6,6-tetramethylpiperidine)
SMILESCC(=O)O.CC(=O)O.CC1(C)CCCC(C)(C)N1.CC1(C)CCCC(C)(C)N1.N#CC(=O)O
InChIInChI=1S/2C9H19N.C2HNO2.2C2H4O2/c2*1-8(2)6-5-7-9(3,4)10-8;3-1-2(4)5;2*1-2(3)4/h2*10H,5-7H2,1-4H3;(H,4,5);2*1H3,(H,3,4)
InChIKeyGRKIOAJTLSPKLJ-UHFFFAOYSA-N
MW473.66 g/mol
LogP4.41
Rot. Bonds

About acetic acid;carbonocyanidic acid;bis(2,2,6,6-tetramethylpiperidine)

acetic acid;carbonocyanidic acid;bis(2,2,6,6-tetramethylpiperidine) (PubChem CID 175153115) has the molecular formula C24H47N3O6 and a molecular weight of 473.66 g/mol. Its IUPAC name is acetic acid;carbonocyanidic acid;bis(2,2,6,6-tetramethylpiperidine).

Molecular Properties

Compound Nameacetic acid;carbonocyanidic acid;bis(2,2,6,6-tetramethylpiperidine)
PubChem CID175153115
Molecular FormulaC24H47N3O6
Molecular Weight473.66 g/mol
Exact Mass473.35
IUPAC Nameacetic acid;carbonocyanidic acid;bis(2,2,6,6-tetramethylpiperidine)
SMILESCC(=O)O.CC(=O)O.CC1(C)CCCC(C)(C)N1.CC1(C)CCCC(C)(C)N1.N#CC(=O)O
InChIInChI=1S/2C9H19N.C2HNO2.2C2H4O2/c2*1-8(2)6-5-7-9(3,4)10-8;3-1-2(4)5;2*1-2(3)4/h2*10H,5-7H2,1-4H3;(H,4,5);2*1H3,(H,3,4)
InChIKeyGRKIOAJTLSPKLJ-UHFFFAOYSA-N
XLogP4.41
TPSA159.75 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.66
LogP ≤ 54.41
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze acetic acid;carbonocyanidic acid;bis(2,2,6,6-tetramethylpiperidine) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of acetic acid;carbonocyanidic acid;bis(2,2,6,6-tetramethylpiperidine)?
The IUPAC name of acetic acid;carbonocyanidic acid;bis(2,2,6,6-tetramethylpiperidine) (CID 175153115) is acetic acid;carbonocyanidic acid;bis(2,2,6,6-tetramethylpiperidine).
What is the SMILES notation for acetic acid;carbonocyanidic acid;bis(2,2,6,6-tetramethylpiperidine)?
The canonical SMILES for acetic acid;carbonocyanidic acid;bis(2,2,6,6-tetramethylpiperidine) is CC(=O)O.CC(=O)O.CC1(C)CCCC(C)(C)N1.CC1(C)CCCC(C)(C)N1.N#CC(=O)O.
What is the InChIKey of acetic acid;carbonocyanidic acid;bis(2,2,6,6-tetramethylpiperidine)?
The InChIKey is GRKIOAJTLSPKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H19N.C2HNO2.2C2H4O2/c2*1-8(2)6-5-7-9(3,4)10-8;3-1-2(4)5;2*1-2(3)4/h2*10H,5-7H2,1-4H3;(H,4,5);2*1H3,(H,3,4).
What are the key properties of acetic acid;carbonocyanidic acid;bis(2,2,6,6-tetramethylpiperidine)?
acetic acid;carbonocyanidic acid;bis(2,2,6,6-tetramethylpiperidine) has a molecular weight of 473.66 g/mol, XLogP of 4.41, 0 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;carbonocyanidic acid;bis(2,2,6,6-tetramethylpiperidine) is sourced from PubChem (CID 175153115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).