8-[2-(oxan-4-yl)ethoxy]octanoic acid

C15H28O4 — CID 164916304

IUPAC8-[2-(oxan-4-yl)ethoxy]octanoic acid
SMILESO=C(O)CCCCCCCOCCC1CCOCC1
InChIInChI=1S/C15H28O4/c16-15(17)6-4-2-1-3-5-10-18-11-7-14-8-12-19-13-9-14/h14H,1-13H2,(H,16,17)
InChIKeyTXHYQGMXUDCWLC-UHFFFAOYSA-N
MW272.38 g/mol
LogP3.24
Rot. Bonds11

About 8-[2-(oxan-4-yl)ethoxy]octanoic acid

8-[2-(oxan-4-yl)ethoxy]octanoic acid (PubChem CID 164916304) has the molecular formula C15H28O4 and a molecular weight of 272.38 g/mol. Its IUPAC name is 8-[2-(oxan-4-yl)ethoxy]octanoic acid.

Molecular Properties

Compound Name8-[2-(oxan-4-yl)ethoxy]octanoic acid
PubChem CID164916304
Molecular FormulaC15H28O4
Molecular Weight272.38 g/mol
Exact Mass272.20
IUPAC Name8-[2-(oxan-4-yl)ethoxy]octanoic acid
SMILESO=C(O)CCCCCCCOCCC1CCOCC1
InChIInChI=1S/C15H28O4/c16-15(17)6-4-2-1-3-5-10-18-11-7-14-8-12-19-13-9-14/h14H,1-13H2,(H,16,17)
InChIKeyTXHYQGMXUDCWLC-UHFFFAOYSA-N
XLogP3.24
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-[2-(oxan-4-yl)ethoxy]octanamide
CID 175975617
8-(3-carboxypropoxy)octanoic acid
CID 154155651
5-(oxolan-3-yl)pentanoic acid
CID 142409072
9-(oxan-4-ylmethylamino)heptadecanedioic acid
CID 175577574
7-[4-[2-(2-cyclopentylethoxy)ethyl]thiolan-3-yl]heptanoic acid
CID 70399758
6-(oxan-4-ylmethoxy)hexan-2-one
CID 62382275
14-(oxan-2-yloxy)tetradecanoic acid
CID 54500619
8-cyclobutyloctanoic acid
CID 72551210
15-pentoxypentadecanoic acid
CID 89280169
7-cycloheptylheptanoic acid
CID 135077063
8-cyclooctyloctanoic acid
CID 142719661
7-[2-(2-ethoxyethoxy)ethoxy]heptanoic acid
CID 23631652

Frequently Asked Questions

What is the IUPAC name of 8-[2-(oxan-4-yl)ethoxy]octanoic acid?
The IUPAC name of 8-[2-(oxan-4-yl)ethoxy]octanoic acid (CID 164916304) is 8-[2-(oxan-4-yl)ethoxy]octanoic acid.
What is the SMILES notation for 8-[2-(oxan-4-yl)ethoxy]octanoic acid?
The canonical SMILES for 8-[2-(oxan-4-yl)ethoxy]octanoic acid is O=C(O)CCCCCCCOCCC1CCOCC1.
What is the InChIKey of 8-[2-(oxan-4-yl)ethoxy]octanoic acid?
The InChIKey is TXHYQGMXUDCWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O4/c16-15(17)6-4-2-1-3-5-10-18-11-7-14-8-12-19-13-9-14/h14H,1-13H2,(H,16,17).
What are the key properties of 8-[2-(oxan-4-yl)ethoxy]octanoic acid?
8-[2-(oxan-4-yl)ethoxy]octanoic acid has a molecular weight of 272.38 g/mol, XLogP of 3.24, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(oxan-4-yl)ethoxy]octanoic acid is sourced from PubChem (CID 164916304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).