2-(2-ethylhexyl)oxolane-2,3,4,5-tetracarboxylic acid

C16H24O9 — CID 175483952

IUPAC2-(2-ethylhexyl)oxolane-2,3,4,5-tetracarboxylic acid
SMILESCCCCC(CC)CC1(C(=O)O)OC(C(=O)O)C(C(=O)O)C1C(=O)O
InChIInChI=1S/C16H24O9/c1-3-5-6-8(4-2)7-16(15(23)24)10(13(19)20)9(12(17)18)11(25-16)14(21)22/h8-11H,3-7H2,1-2H3,(H,17,18)(H,19,20)(H,21,22)(H,23,24)
InChIKeyCYAJUDAWCOGOQZ-UHFFFAOYSA-N
MW360.36 g/mol
LogP1.30
Rot. Bonds10

About 2-(2-ethylhexyl)oxolane-2,3,4,5-tetracarboxylic acid

2-(2-ethylhexyl)oxolane-2,3,4,5-tetracarboxylic acid (PubChem CID 175483952) has the molecular formula C16H24O9 and a molecular weight of 360.36 g/mol. Its IUPAC name is 2-(2-ethylhexyl)oxolane-2,3,4,5-tetracarboxylic acid.

Molecular Properties

Compound Name2-(2-ethylhexyl)oxolane-2,3,4,5-tetracarboxylic acid
PubChem CID175483952
Molecular FormulaC16H24O9
Molecular Weight360.36 g/mol
Exact Mass360.14
IUPAC Name2-(2-ethylhexyl)oxolane-2,3,4,5-tetracarboxylic acid
SMILESCCCCC(CC)CC1(C(=O)O)OC(C(=O)O)C(C(=O)O)C1C(=O)O
InChIInChI=1S/C16H24O9/c1-3-5-6-8(4-2)7-16(15(23)24)10(13(19)20)9(12(17)18)11(25-16)14(21)22/h8-11H,3-7H2,1-2H3,(H,17,18)(H,19,20)(H,21,22)(H,23,24)
InChIKeyCYAJUDAWCOGOQZ-UHFFFAOYSA-N
XLogP1.30
TPSA158.43 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.36
LogP ≤ 51.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-ethylhexoxycarbonyl)oxolane-2,3,4-tricarboxylic acid
CID 164916098
3-[(Z)-2-cyano-4-ethyloct-1-enyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 71075217
2-ethylhexyl-λ2-stannane;tris(prop-2-enoic acid)
CID 173132844
1-(2-ethylhexyl)-6-oxopiperidine-3-carboxylic acid
CID 62216405
2-(2-ethylhexyl)oxetane
CID 158420180
2-(2-ethylhexadecyl)oxirane
CID 174869726
4-ethyloct-1-ene;hexanedioic acid
CID 175450276
8-ethyl-2-methylidenehenicosanoic acid
CID 23001942
2-(2-ethylhexyl)cyclopentane-1-carboxylic acid
CID 81008544
1-(2-ethylhexylcarbamoyl)cyclopropane-1-carboxylic acid
CID 103941259
2-(6-ethylpentadecyl)propanedioic acid
CID 87568390
3-ethyloctanoic acid;neodymium
CID 174650378

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylhexyl)oxolane-2,3,4,5-tetracarboxylic acid?
The IUPAC name of 2-(2-ethylhexyl)oxolane-2,3,4,5-tetracarboxylic acid (CID 175483952) is 2-(2-ethylhexyl)oxolane-2,3,4,5-tetracarboxylic acid.
What is the SMILES notation for 2-(2-ethylhexyl)oxolane-2,3,4,5-tetracarboxylic acid?
The canonical SMILES for 2-(2-ethylhexyl)oxolane-2,3,4,5-tetracarboxylic acid is CCCCC(CC)CC1(C(=O)O)OC(C(=O)O)C(C(=O)O)C1C(=O)O.
What is the InChIKey of 2-(2-ethylhexyl)oxolane-2,3,4,5-tetracarboxylic acid?
The InChIKey is CYAJUDAWCOGOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O9/c1-3-5-6-8(4-2)7-16(15(23)24)10(13(19)20)9(12(17)18)11(25-16)14(21)22/h8-11H,3-7H2,1-2H3,(H,17,18)(H,19,20)(H,21,22)(H,23,24).
What are the key properties of 2-(2-ethylhexyl)oxolane-2,3,4,5-tetracarboxylic acid?
2-(2-ethylhexyl)oxolane-2,3,4,5-tetracarboxylic acid has a molecular weight of 360.36 g/mol, XLogP of 1.30, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylhexyl)oxolane-2,3,4,5-tetracarboxylic acid is sourced from PubChem (CID 175483952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).