decanedioic acid;hexanedioic acid;nonanedioic acid;octanedioic acid

C33H58O16 — CID 159068248

IUPACdecanedioic acid;hexanedioic acid;nonanedioic acid;octanedioic acid
SMILESO=C(O)CCCCC(=O)O.O=C(O)CCCCCCC(=O)O.O=C(O)CCCCCCCC(=O)O.O=C(O)CCCCCCCCC(=O)O
InChIInChI=1S/C10H18O4.C9H16O4.C8H14O4.C6H10O4/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;10-8(11)6-4-2-1-3-5-7-9(12)13;9-7(10)5-3-1-2-4-6-8(11)12;7-5(8)3-1-2-4-6(9)10/h1-8H2,(H,11,12)(H,13,14);1-7H2,(H,10,11)(H,12,13);1-6H2,(H,9,10)(H,11,12);1-4H2,(H,7,8)(H,9,10)
InChIKeyJZIBWUKBIRWDQZ-UHFFFAOYSA-N
MW710.81 g/mol
LogP6.37
Rot. Bonds29

About decanedioic acid;hexanedioic acid;nonanedioic acid;octanedioic acid

decanedioic acid;hexanedioic acid;nonanedioic acid;octanedioic acid (PubChem CID 159068248) has the molecular formula C33H58O16 and a molecular weight of 710.81 g/mol. Its IUPAC name is decanedioic acid;hexanedioic acid;nonanedioic acid;octanedioic acid.

Molecular Properties

Compound Namedecanedioic acid;hexanedioic acid;nonanedioic acid;octanedioic acid
PubChem CID159068248
Molecular FormulaC33H58O16
Molecular Weight710.81 g/mol
Exact Mass710.37
IUPAC Namedecanedioic acid;hexanedioic acid;nonanedioic acid;octanedioic acid
SMILESO=C(O)CCCCC(=O)O.O=C(O)CCCCCCC(=O)O.O=C(O)CCCCCCCC(=O)O.O=C(O)CCCCCCCCC(=O)O
InChIInChI=1S/C10H18O4.C9H16O4.C8H14O4.C6H10O4/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;10-8(11)6-4-2-1-3-5-7-9(12)13;9-7(10)5-3-1-2-4-6-8(11)12;7-5(8)3-1-2-4-6(9)10/h1-8H2,(H,11,12)(H,13,14);1-7H2,(H,10,11)(H,12,13);1-6H2,(H,9,10)(H,11,12);1-4H2,(H,7,8)(H,9,10)
InChIKeyJZIBWUKBIRWDQZ-UHFFFAOYSA-N
XLogP6.37
TPSA298.40 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds29
Heavy Atoms49
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500710.81
LogP ≤ 56.37
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

tridecanedioic acid;undecanedioic acid
CID 158333715
decanedioic acid;hexanedioic acid;octanedioic acid
CID 159110511
heptadecanedioic acid
CID 3083765
tetradecanedioic acid
CID 13185
decanedioic acid;tris(nonanedioic acid)
CID 159759294
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
heptanedioic acid;dihydrochloride
CID 87431923
azane;tridecanedioic acid
CID 174979532
azane;decanedioic acid;nonanedioic acid
CID 174896485

Frequently Asked Questions

What is the IUPAC name of decanedioic acid;hexanedioic acid;nonanedioic acid;octanedioic acid?
The IUPAC name of decanedioic acid;hexanedioic acid;nonanedioic acid;octanedioic acid (CID 159068248) is decanedioic acid;hexanedioic acid;nonanedioic acid;octanedioic acid.
What is the SMILES notation for decanedioic acid;hexanedioic acid;nonanedioic acid;octanedioic acid?
The canonical SMILES for decanedioic acid;hexanedioic acid;nonanedioic acid;octanedioic acid is O=C(O)CCCCC(=O)O.O=C(O)CCCCCCC(=O)O.O=C(O)CCCCCCCC(=O)O.O=C(O)CCCCCCCCC(=O)O.
What is the InChIKey of decanedioic acid;hexanedioic acid;nonanedioic acid;octanedioic acid?
The InChIKey is JZIBWUKBIRWDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4.C9H16O4.C8H14O4.C6H10O4/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;10-8(11)6-4-2-1-3-5-7-9(12)13;9-7(10)5-3-1-2-4-6-8(11)12;7-5(8)3-1-2-4-6(9)10/h1-8H2,(H,11,12)(H,13,14);1-7H2,(H,10,11)(H,12,13);1-6H2,(H,9,10)(H,11,12);1-4H2,(H,7,8)(H,9,10).
What are the key properties of decanedioic acid;hexanedioic acid;nonanedioic acid;octanedioic acid?
decanedioic acid;hexanedioic acid;nonanedioic acid;octanedioic acid has a molecular weight of 710.81 g/mol, XLogP of 6.37, 29 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for decanedioic acid;hexanedioic acid;nonanedioic acid;octanedioic acid is sourced from PubChem (CID 159068248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).