decanedioic acid;tris(nonanedioic acid)

C37H66O16 — CID 159759294

IUPACdecanedioic acid;tris(nonanedioic acid)
SMILESO=C(O)CCCCCCCC(=O)O.O=C(O)CCCCCCCC(=O)O.O=C(O)CCCCCCCC(=O)O.O=C(O)CCCCCCCCC(=O)O
InChIInChI=1S/C10H18O4.3C9H16O4/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;3*10-8(11)6-4-2-1-3-5-7-9(12)13/h1-8H2,(H,11,12)(H,13,14);3*1-7H2,(H,10,11)(H,12,13)
InChIKeyNERBRYRLONKGON-UHFFFAOYSA-N
MW766.92 g/mol
LogP7.94
Rot. Bonds33

About decanedioic acid;tris(nonanedioic acid)

decanedioic acid;tris(nonanedioic acid) (PubChem CID 159759294) has the molecular formula C37H66O16 and a molecular weight of 766.92 g/mol. Its IUPAC name is decanedioic acid;tris(nonanedioic acid).

Molecular Properties

Compound Namedecanedioic acid;tris(nonanedioic acid)
PubChem CID159759294
Molecular FormulaC37H66O16
Molecular Weight766.92 g/mol
Exact Mass766.44
IUPAC Namedecanedioic acid;tris(nonanedioic acid)
SMILESO=C(O)CCCCCCCC(=O)O.O=C(O)CCCCCCCC(=O)O.O=C(O)CCCCCCCC(=O)O.O=C(O)CCCCCCCCC(=O)O
InChIInChI=1S/C10H18O4.3C9H16O4/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;3*10-8(11)6-4-2-1-3-5-7-9(12)13/h1-8H2,(H,11,12)(H,13,14);3*1-7H2,(H,10,11)(H,12,13)
InChIKeyNERBRYRLONKGON-UHFFFAOYSA-N
XLogP7.94
TPSA298.40 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds33
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500766.92
LogP ≤ 57.94
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze decanedioic acid;tris(nonanedioic acid) with MolForge

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

Launch Full Analysis

Related Compounds

tridecanedioic acid;undecanedioic acid
CID 158333715
decanedioic acid;hexanedioic acid;octanedioic acid
CID 159110511
heptadecanedioic acid
CID 3083765
decanedioic acid;hexanedioic acid;nonanedioic acid;octanedioic acid
CID 159068248
tetradecanedioic acid
CID 13185
triacontanedioic acid
CID 5322010
dodecanedioic acid;bis(tridecanedioic acid)
CID 87373965
decanedioic acid;icosanedioic acid
CID 161217033
butanedioic acid;decanedioic acid;hexanedioic acid;octanedioic acid
CID 157217252
octanedioic acid;zinc
CID 87285694
heptanedioic acid;dihydrochloride
CID 87431923
azane;tridecanedioic acid
CID 174979532

Frequently Asked Questions

What is the IUPAC name of decanedioic acid;tris(nonanedioic acid)?
The IUPAC name of decanedioic acid;tris(nonanedioic acid) (CID 159759294) is decanedioic acid;tris(nonanedioic acid).
What is the SMILES notation for decanedioic acid;tris(nonanedioic acid)?
The canonical SMILES for decanedioic acid;tris(nonanedioic acid) is O=C(O)CCCCCCCC(=O)O.O=C(O)CCCCCCCC(=O)O.O=C(O)CCCCCCCC(=O)O.O=C(O)CCCCCCCCC(=O)O.
What is the InChIKey of decanedioic acid;tris(nonanedioic acid)?
The InChIKey is NERBRYRLONKGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4.3C9H16O4/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;3*10-8(11)6-4-2-1-3-5-7-9(12)13/h1-8H2,(H,11,12)(H,13,14);3*1-7H2,(H,10,11)(H,12,13).
What are the key properties of decanedioic acid;tris(nonanedioic acid)?
decanedioic acid;tris(nonanedioic acid) has a molecular weight of 766.92 g/mol, XLogP of 7.94, 33 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for decanedioic acid;tris(nonanedioic acid) is sourced from PubChem (CID 159759294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).