6-hydroxy-5-(2-hydroxypropoxy)-2-methylidenehexanoic acid

C10H18O5 — CID 18172707

IUPAC6-hydroxy-5-(2-hydroxypropoxy)-2-methylidenehexanoic acid
SMILESC=C(CCC(CO)OCC(C)O)C(=O)O
InChIInChI=1S/C10H18O5/c1-7(10(13)14)3-4-9(5-11)15-6-8(2)12/h8-9,11-12H,1,3-6H2,2H3,(H,13,14)
InChIKeyXIKAEUCTEYKRRE-UHFFFAOYSA-N
MW218.25 g/mol
LogP0.17
Rot. Bonds8

About 6-hydroxy-5-(2-hydroxypropoxy)-2-methylidenehexanoic acid

6-hydroxy-5-(2-hydroxypropoxy)-2-methylidenehexanoic acid (PubChem CID 18172707) has the molecular formula C10H18O5 and a molecular weight of 218.25 g/mol. Its IUPAC name is 6-hydroxy-5-(2-hydroxypropoxy)-2-methylidenehexanoic acid.

Molecular Properties

Compound Name6-hydroxy-5-(2-hydroxypropoxy)-2-methylidenehexanoic acid
PubChem CID18172707
Molecular FormulaC10H18O5
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Name6-hydroxy-5-(2-hydroxypropoxy)-2-methylidenehexanoic acid
SMILESC=C(CCC(CO)OCC(C)O)C(=O)O
InChIInChI=1S/C10H18O5/c1-7(10(13)14)3-4-9(5-11)15-6-8(2)12/h8-9,11-12H,1,3-6H2,2H3,(H,13,14)
InChIKeyXIKAEUCTEYKRRE-UHFFFAOYSA-N
XLogP0.17
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-(2-hydroxypropoxy)-2-methylidenehexanoic acid?
The IUPAC name of 6-hydroxy-5-(2-hydroxypropoxy)-2-methylidenehexanoic acid (CID 18172707) is 6-hydroxy-5-(2-hydroxypropoxy)-2-methylidenehexanoic acid.
What is the SMILES notation for 6-hydroxy-5-(2-hydroxypropoxy)-2-methylidenehexanoic acid?
The canonical SMILES for 6-hydroxy-5-(2-hydroxypropoxy)-2-methylidenehexanoic acid is C=C(CCC(CO)OCC(C)O)C(=O)O.
What is the InChIKey of 6-hydroxy-5-(2-hydroxypropoxy)-2-methylidenehexanoic acid?
The InChIKey is XIKAEUCTEYKRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O5/c1-7(10(13)14)3-4-9(5-11)15-6-8(2)12/h8-9,11-12H,1,3-6H2,2H3,(H,13,14).
What are the key properties of 6-hydroxy-5-(2-hydroxypropoxy)-2-methylidenehexanoic acid?
6-hydroxy-5-(2-hydroxypropoxy)-2-methylidenehexanoic acid has a molecular weight of 218.25 g/mol, XLogP of 0.17, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-(2-hydroxypropoxy)-2-methylidenehexanoic acid is sourced from PubChem (CID 18172707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).