decanedioic acid;2,3,4,5-tetramethylpyridine

C19H31NO4 — CID 174884697

IUPACdecanedioic acid;2,3,4,5-tetramethylpyridine
SMILESCc1cnc(C)c(C)c1C.O=C(O)CCCCCCCCC(=O)O
InChIInChI=1S/C10H18O4.C9H13N/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;1-6-5-10-9(4)8(3)7(6)2/h1-8H2,(H,11,12)(H,13,14);5H,1-4H3
InChIKeyFXILZNWEXQZFPO-UHFFFAOYSA-N
MW337.46 g/mol
LogP4.59
Rot. Bonds9

About decanedioic acid;2,3,4,5-tetramethylpyridine

decanedioic acid;2,3,4,5-tetramethylpyridine (PubChem CID 174884697) has the molecular formula C19H31NO4 and a molecular weight of 337.46 g/mol. Its IUPAC name is decanedioic acid;2,3,4,5-tetramethylpyridine.

Molecular Properties

Compound Namedecanedioic acid;2,3,4,5-tetramethylpyridine
PubChem CID174884697
Molecular FormulaC19H31NO4
Molecular Weight337.46 g/mol
Exact Mass337.23
IUPAC Namedecanedioic acid;2,3,4,5-tetramethylpyridine
SMILESCc1cnc(C)c(C)c1C.O=C(O)CCCCCCCCC(=O)O
InChIInChI=1S/C10H18O4.C9H13N/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;1-6-5-10-9(4)8(3)7(6)2/h1-8H2,(H,11,12)(H,13,14);5H,1-4H3
InChIKeyFXILZNWEXQZFPO-UHFFFAOYSA-N
XLogP4.59
TPSA87.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

hexadecanoic acid;2,3,5-trimethylpyrazine
CID 174550424
4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;hexanedioic acid
CID 175280730
dodecanedioic acid;1,4-xylene
CID 66586315
methanol;tridecanedioic acid
CID 175511493
tetradecanedioic acid
CID 13185
decanedioic acid;tris(nonanedioic acid)
CID 159759294
decanedioic acid;hexanedioic acid;octanedioic acid
CID 159110511
heptadecanedioic acid
CID 3083765
tridecanedioic acid;undecanedioic acid
CID 158333715
decanedioic acid;hexanedioic acid;nonanedioic acid;octanedioic acid
CID 159068248
triacontanedioic acid
CID 5322010
dodecanedioic acid;bis(tridecanedioic acid)
CID 87373965

Frequently Asked Questions

What is the IUPAC name of decanedioic acid;2,3,4,5-tetramethylpyridine?
The IUPAC name of decanedioic acid;2,3,4,5-tetramethylpyridine (CID 174884697) is decanedioic acid;2,3,4,5-tetramethylpyridine.
What is the SMILES notation for decanedioic acid;2,3,4,5-tetramethylpyridine?
The canonical SMILES for decanedioic acid;2,3,4,5-tetramethylpyridine is Cc1cnc(C)c(C)c1C.O=C(O)CCCCCCCCC(=O)O.
What is the InChIKey of decanedioic acid;2,3,4,5-tetramethylpyridine?
The InChIKey is FXILZNWEXQZFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4.C9H13N/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;1-6-5-10-9(4)8(3)7(6)2/h1-8H2,(H,11,12)(H,13,14);5H,1-4H3.
What are the key properties of decanedioic acid;2,3,4,5-tetramethylpyridine?
decanedioic acid;2,3,4,5-tetramethylpyridine has a molecular weight of 337.46 g/mol, XLogP of 4.59, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for decanedioic acid;2,3,4,5-tetramethylpyridine is sourced from PubChem (CID 174884697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).