decanedioic acid;10-methoxy-10-oxo-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)decanoic acid

C31H57NO8 — CID 174929371

IUPACdecanedioic acid;10-methoxy-10-oxo-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)decanoic acid
SMILESCOC(=O)CCCCCCC(CC(=O)O)C1CC(C)(C)N(C)C(C)(C)C1.O=C(O)CCCCCCCCC(=O)O
InChIInChI=1S/C21H39NO4.C10H18O4/c1-20(2)14-17(15-21(3,4)22(20)5)16(13-18(23)24)11-9-7-8-10-12-19(25)26-6;11-9(12)7-5-3-1-2-4-6-8-10(13)14/h16-17H,7-15H2,1-6H3,(H,23,24);1-8H2,(H,11,12)(H,13,14)
InChIKeyVEIZGBNONLPLFZ-UHFFFAOYSA-N
MW571.80 g/mol
LogP6.77
Rot. Bonds19

About decanedioic acid;10-methoxy-10-oxo-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)decanoic acid

decanedioic acid;10-methoxy-10-oxo-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)decanoic acid (PubChem CID 174929371) has the molecular formula C31H57NO8 and a molecular weight of 571.80 g/mol. Its IUPAC name is decanedioic acid;10-methoxy-10-oxo-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)decanoic acid.

Molecular Properties

Compound Namedecanedioic acid;10-methoxy-10-oxo-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)decanoic acid
PubChem CID174929371
Molecular FormulaC31H57NO8
Molecular Weight571.80 g/mol
Exact Mass571.41
IUPAC Namedecanedioic acid;10-methoxy-10-oxo-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)decanoic acid
SMILESCOC(=O)CCCCCCC(CC(=O)O)C1CC(C)(C)N(C)C(C)(C)C1.O=C(O)CCCCCCCCC(=O)O
InChIInChI=1S/C21H39NO4.C10H18O4/c1-20(2)14-17(15-21(3,4)22(20)5)16(13-18(23)24)11-9-7-8-10-12-19(25)26-6;11-9(12)7-5-3-1-2-4-6-8-10(13)14/h16-17H,7-15H2,1-6H3,(H,23,24);1-8H2,(H,11,12)(H,13,14)
InChIKeyVEIZGBNONLPLFZ-UHFFFAOYSA-N
XLogP6.77
TPSA141.44 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.80
LogP ≤ 56.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

10-oxo-7-(1,2,2,6,6-pentamethylpiperidin-4-yl)-10-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxydecanoic acid
CID 66781134
6-oxo-4-(1,2,2,6,6-pentamethylpiperidin-4-yl)-6-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyhexanoic acid
CID 54164307
1-O-methyl 8-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) octanedioate
CID 164740961
bis(1,2,2,6,6-pentamethylpiperidin-4-yl) tridecanedioate
CID 162454117
dimethyl tetradecanedioate;tetradecanedioic acid
CID 175922218
8-methoxy-8-oxooctanoic acid;hydrochloride
CID 87214836
13-methoxy-13-oxotridecanoic acid;N-methylmethanamine
CID 88504944
1,2,2,4,6,6-hexamethylpiperidine;octadecanoic acid
CID 21292200
10-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) decanedioate
CID 59915332
10-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-10-oxodecanoic acid
CID 66790279
methyl 18,18-dihydroxyoctadecanoate
CID 151355235
10-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-methyldecanedioate
CID 118137040

Frequently Asked Questions

What is the IUPAC name of decanedioic acid;10-methoxy-10-oxo-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)decanoic acid?
The IUPAC name of decanedioic acid;10-methoxy-10-oxo-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)decanoic acid (CID 174929371) is decanedioic acid;10-methoxy-10-oxo-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)decanoic acid.
What is the SMILES notation for decanedioic acid;10-methoxy-10-oxo-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)decanoic acid?
The canonical SMILES for decanedioic acid;10-methoxy-10-oxo-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)decanoic acid is COC(=O)CCCCCCC(CC(=O)O)C1CC(C)(C)N(C)C(C)(C)C1.O=C(O)CCCCCCCCC(=O)O.
What is the InChIKey of decanedioic acid;10-methoxy-10-oxo-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)decanoic acid?
The InChIKey is VEIZGBNONLPLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H39NO4.C10H18O4/c1-20(2)14-17(15-21(3,4)22(20)5)16(13-18(23)24)11-9-7-8-10-12-19(25)26-6;11-9(12)7-5-3-1-2-4-6-8-10(13)14/h16-17H,7-15H2,1-6H3,(H,23,24);1-8H2,(H,11,12)(H,13,14).
What are the key properties of decanedioic acid;10-methoxy-10-oxo-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)decanoic acid?
decanedioic acid;10-methoxy-10-oxo-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)decanoic acid has a molecular weight of 571.80 g/mol, XLogP of 6.77, 19 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for decanedioic acid;10-methoxy-10-oxo-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)decanoic acid is sourced from PubChem (CID 174929371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).