butanedioic acid;decanedioic acid;hexanedioic acid;octanedioic acid

C28H48O16 — CID 157217252

IUPACbutanedioic acid;decanedioic acid;hexanedioic acid;octanedioic acid
SMILESO=C(O)CCC(=O)O.O=C(O)CCCCC(=O)O.O=C(O)CCCCCCC(=O)O.O=C(O)CCCCCCCCC(=O)O
InChIInChI=1S/C10H18O4.C8H14O4.C6H10O4.C4H6O4/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;9-7(10)5-3-1-2-4-6-8(11)12;7-5(8)3-1-2-4-6(9)10;5-3(6)1-2-4(7)8/h1-8H2,(H,11,12)(H,13,14);1-6H2,(H,9,10)(H,11,12);1-4H2,(H,7,8)(H,9,10);1-2H2,(H,5,6)(H,7,8)
InChIKeyASOIQIHJKHDRCD-UHFFFAOYSA-N
MW640.68 g/mol
LogP4.42
Rot. Bonds24

About butanedioic acid;decanedioic acid;hexanedioic acid;octanedioic acid

butanedioic acid;decanedioic acid;hexanedioic acid;octanedioic acid (PubChem CID 157217252) has the molecular formula C28H48O16 and a molecular weight of 640.68 g/mol. Its IUPAC name is butanedioic acid;decanedioic acid;hexanedioic acid;octanedioic acid.

Molecular Properties

Compound Namebutanedioic acid;decanedioic acid;hexanedioic acid;octanedioic acid
PubChem CID157217252
Molecular FormulaC28H48O16
Molecular Weight640.68 g/mol
Exact Mass640.29
IUPAC Namebutanedioic acid;decanedioic acid;hexanedioic acid;octanedioic acid
SMILESO=C(O)CCC(=O)O.O=C(O)CCCCC(=O)O.O=C(O)CCCCCCC(=O)O.O=C(O)CCCCCCCCC(=O)O
InChIInChI=1S/C10H18O4.C8H14O4.C6H10O4.C4H6O4/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;9-7(10)5-3-1-2-4-6-8(11)12;7-5(8)3-1-2-4-6(9)10;5-3(6)1-2-4(7)8/h1-8H2,(H,11,12)(H,13,14);1-6H2,(H,9,10)(H,11,12);1-4H2,(H,7,8)(H,9,10);1-2H2,(H,5,6)(H,7,8)
InChIKeyASOIQIHJKHDRCD-UHFFFAOYSA-N
XLogP4.42
TPSA298.40 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds24
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.68
LogP ≤ 54.42
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

butanedioic acid;decanedioic acid;hexanedioic acid
CID 137367158
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
decanedioic acid;tris(nonanedioic acid)
CID 159759294
triacontanedioic acid
CID 5322010
dodecanedioic acid;bis(tridecanedioic acid)
CID 87373965
decanedioic acid;icosanedioic acid
CID 161217033
octanedioic acid;zinc
CID 87285694
bismuthane;dodecanedioic acid
CID 173224414

Frequently Asked Questions

What is the IUPAC name of butanedioic acid;decanedioic acid;hexanedioic acid;octanedioic acid?
The IUPAC name of butanedioic acid;decanedioic acid;hexanedioic acid;octanedioic acid (CID 157217252) is butanedioic acid;decanedioic acid;hexanedioic acid;octanedioic acid.
What is the SMILES notation for butanedioic acid;decanedioic acid;hexanedioic acid;octanedioic acid?
The canonical SMILES for butanedioic acid;decanedioic acid;hexanedioic acid;octanedioic acid is O=C(O)CCC(=O)O.O=C(O)CCCCC(=O)O.O=C(O)CCCCCCC(=O)O.O=C(O)CCCCCCCCC(=O)O.
What is the InChIKey of butanedioic acid;decanedioic acid;hexanedioic acid;octanedioic acid?
The InChIKey is ASOIQIHJKHDRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4.C8H14O4.C6H10O4.C4H6O4/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;9-7(10)5-3-1-2-4-6-8(11)12;7-5(8)3-1-2-4-6(9)10;5-3(6)1-2-4(7)8/h1-8H2,(H,11,12)(H,13,14);1-6H2,(H,9,10)(H,11,12);1-4H2,(H,7,8)(H,9,10);1-2H2,(H,5,6)(H,7,8).
What are the key properties of butanedioic acid;decanedioic acid;hexanedioic acid;octanedioic acid?
butanedioic acid;decanedioic acid;hexanedioic acid;octanedioic acid has a molecular weight of 640.68 g/mol, XLogP of 4.42, 24 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for butanedioic acid;decanedioic acid;hexanedioic acid;octanedioic acid is sourced from PubChem (CID 157217252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).