5,8,11,14-tetraoxooctadecanedioic acid

C18H26O8 — CID 57306200

IUPAC5,8,11,14-tetraoxooctadecanedioic acid
SMILESO=C(O)CCCC(=O)CCC(=O)CCC(=O)CCC(=O)CCCC(=O)O
InChIInChI=1S/C18H26O8/c19-13(3-1-5-17(23)24)7-9-15(21)11-12-16(22)10-8-14(20)4-2-6-18(25)26/h1-12H2,(H,23,24)(H,25,26)
InChIKeyVTVCRIULVXTMRY-UHFFFAOYSA-N
MW370.40 g/mol
LogP2.11
Rot. Bonds17

About 5,8,11,14-tetraoxooctadecanedioic acid

5,8,11,14-tetraoxooctadecanedioic acid (PubChem CID 57306200) has the molecular formula C18H26O8 and a molecular weight of 370.40 g/mol. Its IUPAC name is 5,8,11,14-tetraoxooctadecanedioic acid.

Molecular Properties

Compound Name5,8,11,14-tetraoxooctadecanedioic acid
PubChem CID57306200
Molecular FormulaC18H26O8
Molecular Weight370.40 g/mol
Exact Mass370.16
IUPAC Name5,8,11,14-tetraoxooctadecanedioic acid
SMILESO=C(O)CCCC(=O)CCC(=O)CCC(=O)CCC(=O)CCCC(=O)O
InChIInChI=1S/C18H26O8/c19-13(3-1-5-17(23)24)7-9-15(21)11-12-16(22)10-8-14(20)4-2-6-18(25)26/h1-12H2,(H,23,24)(H,25,26)
InChIKeyVTVCRIULVXTMRY-UHFFFAOYSA-N
XLogP2.11
TPSA142.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5,8,11,14-tetraoxooctadecanedioic 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

erbium;pentanedioic acid
CID 87931794
azane;bis(pentanedioic acid)
CID 138524332
CID 87067075
CID 87067075
pentanedioic acid;stibane
CID 173344083
8-hydroxy-6-oxooctanoic acid
CID 22280337
7-bromo-6-oxoheptanoic acid
CID 57379211
6,8-dioxotridecanedioic acid
CID 59648927
6-oxononanoic acid
CID 5282981
15-hydroxy-6-oxopentadecanoic acid
CID 154126593
5,7-dioxo-7-sulfanylheptanoic acid
CID 88891580
4,7-dioxoundecanoic acid
CID 165359282
chloromethane;pentanedioic acid
CID 159659659

Frequently Asked Questions

What is the IUPAC name of 5,8,11,14-tetraoxooctadecanedioic acid?
The IUPAC name of 5,8,11,14-tetraoxooctadecanedioic acid (CID 57306200) is 5,8,11,14-tetraoxooctadecanedioic acid.
What is the SMILES notation for 5,8,11,14-tetraoxooctadecanedioic acid?
The canonical SMILES for 5,8,11,14-tetraoxooctadecanedioic acid is O=C(O)CCCC(=O)CCC(=O)CCC(=O)CCC(=O)CCCC(=O)O.
What is the InChIKey of 5,8,11,14-tetraoxooctadecanedioic acid?
The InChIKey is VTVCRIULVXTMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O8/c19-13(3-1-5-17(23)24)7-9-15(21)11-12-16(22)10-8-14(20)4-2-6-18(25)26/h1-12H2,(H,23,24)(H,25,26).
What are the key properties of 5,8,11,14-tetraoxooctadecanedioic acid?
5,8,11,14-tetraoxooctadecanedioic acid has a molecular weight of 370.40 g/mol, XLogP of 2.11, 17 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8,11,14-tetraoxooctadecanedioic acid is sourced from PubChem (CID 57306200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).