8-hydroxy-7-[2-(2-hydroxyethoxy)ethoxy]octanoic acid

C12H24O6 — CID 87833103

IUPAC8-hydroxy-7-[2-(2-hydroxyethoxy)ethoxy]octanoic acid
SMILESO=C(O)CCCCCC(CO)OCCOCCO
InChIInChI=1S/C12H24O6/c13-6-7-17-8-9-18-11(10-14)4-2-1-3-5-12(15)16/h11,13-14H,1-10H2,(H,15,16)
InChIKeyVBQDFQMVLOBQAZ-UHFFFAOYSA-N
MW264.32 g/mol
LogP0.41
Rot. Bonds13

About 8-hydroxy-7-[2-(2-hydroxyethoxy)ethoxy]octanoic acid

8-hydroxy-7-[2-(2-hydroxyethoxy)ethoxy]octanoic acid (PubChem CID 87833103) has the molecular formula C12H24O6 and a molecular weight of 264.32 g/mol. Its IUPAC name is 8-hydroxy-7-[2-(2-hydroxyethoxy)ethoxy]octanoic acid.

Molecular Properties

Compound Name8-hydroxy-7-[2-(2-hydroxyethoxy)ethoxy]octanoic acid
PubChem CID87833103
Molecular FormulaC12H24O6
Molecular Weight264.32 g/mol
Exact Mass264.16
IUPAC Name8-hydroxy-7-[2-(2-hydroxyethoxy)ethoxy]octanoic acid
SMILESO=C(O)CCCCCC(CO)OCCOCCO
InChIInChI=1S/C12H24O6/c13-6-7-17-8-9-18-11(10-14)4-2-1-3-5-12(15)16/h11,13-14H,1-10H2,(H,15,16)
InChIKeyVBQDFQMVLOBQAZ-UHFFFAOYSA-N
XLogP0.41
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

bis(hexanedioic acid);2-(2-hydroxyethoxy)ethanol
CID 159827287
21-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-18-oxohenicosanoic acid
CID 58249220
heptanoic acid;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 87510106
5-hydroxy-4-[2-(2-hydroxyethoxy)ethoxy]-1-phenylpentan-1-one
CID 90332671
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-tridecan-6-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 87268686
bis(hexanoic acid);2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol
CID 87064442
14-(2-hydroxyethoxy)pentadecanoic acid
CID 173440000
2-[2-[2-(2-decan-3-yloxyethoxy)ethoxy]ethoxy]ethanol
CID 176652980
15-tetradecoxyoctacosanoic acid
CID 123678388
dodecanedioic acid;1-(2-ethoxyethoxy)-2-(2-hydroxyethoxy)ethanol
CID 163973493
6-[2-(2-hydroxyethoxy)ethylperoxy]-6-oxohexanoic acid
CID 88844301
5-[2-(2-hydroxyethoxy)ethoxycarbonyl]heptanoic acid
CID 174815262

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-7-[2-(2-hydroxyethoxy)ethoxy]octanoic acid?
The IUPAC name of 8-hydroxy-7-[2-(2-hydroxyethoxy)ethoxy]octanoic acid (CID 87833103) is 8-hydroxy-7-[2-(2-hydroxyethoxy)ethoxy]octanoic acid.
What is the SMILES notation for 8-hydroxy-7-[2-(2-hydroxyethoxy)ethoxy]octanoic acid?
The canonical SMILES for 8-hydroxy-7-[2-(2-hydroxyethoxy)ethoxy]octanoic acid is O=C(O)CCCCCC(CO)OCCOCCO.
What is the InChIKey of 8-hydroxy-7-[2-(2-hydroxyethoxy)ethoxy]octanoic acid?
The InChIKey is VBQDFQMVLOBQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O6/c13-6-7-17-8-9-18-11(10-14)4-2-1-3-5-12(15)16/h11,13-14H,1-10H2,(H,15,16).
What are the key properties of 8-hydroxy-7-[2-(2-hydroxyethoxy)ethoxy]octanoic acid?
8-hydroxy-7-[2-(2-hydroxyethoxy)ethoxy]octanoic acid has a molecular weight of 264.32 g/mol, XLogP of 0.41, 13 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-7-[2-(2-hydroxyethoxy)ethoxy]octanoic acid is sourced from PubChem (CID 87833103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).