2-(oxetan-3-yloxy)hexanoic acid

C9H16O4 — CID 102605290

IUPAC2-(oxetan-3-yloxy)hexanoic acid
SMILESCCCCC(OC1COC1)C(=O)O
InChIInChI=1S/C9H16O4/c1-2-3-4-8(9(10)11)13-7-5-12-6-7/h7-8H,2-6H2,1H3,(H,10,11)
InChIKeyQHGYTUYFRNDWOM-UHFFFAOYSA-N
MW188.22 g/mol
LogP1.05
Rot. Bonds6

About 2-(oxetan-3-yloxy)hexanoic acid

2-(oxetan-3-yloxy)hexanoic acid (PubChem CID 102605290) has the molecular formula C9H16O4 and a molecular weight of 188.22 g/mol. Its IUPAC name is 2-(oxetan-3-yloxy)hexanoic acid.

Molecular Properties

Compound Name2-(oxetan-3-yloxy)hexanoic acid
PubChem CID102605290
Molecular FormulaC9H16O4
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Name2-(oxetan-3-yloxy)hexanoic acid
SMILESCCCCC(OC1COC1)C(=O)O
InChIInChI=1S/C9H16O4/c1-2-3-4-8(9(10)11)13-7-5-12-6-7/h7-8H,2-6H2,1H3,(H,10,11)
InChIKeyQHGYTUYFRNDWOM-UHFFFAOYSA-N
XLogP1.05
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(oxetan-3-yloxy)hexanoate
CID 102605289
ethyl 2-(oxetan-3-yloxy)pentanoate
CID 102605335
2-(2,6,13,16,19-pentaoxatricyclo[18.4.0.07,12]tetracosa-1(24),7,9,11,20,22-hexaen-4-yloxy)octanoic acid
CID 12883222
2-(2,6,13,17-tetraoxatricyclo[16.4.0.07,12]docosa-1(22),7,9,11,18,20-hexaen-4-yloxy)octadecanoic acid
CID 10769865
2-[(2R)-oxan-2-yl]oxyhexanoic acid
CID 101196631
2-bromooxyheptanoic acid
CID 151321599
(2S)-2-methoxyhexanoic acid
CID 129373931
(2S)-2-(oxetan-3-yloxy)propanoic acid
CID 103338261
2-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)pentanoic acid
CID 106941098
2-methoxypentacosanoic acid
CID 10476799
2-methoxytetracosanoic acid
CID 10453501
2-methoxyhexadecanoic acid
CID 656825

Frequently Asked Questions

What is the IUPAC name of 2-(oxetan-3-yloxy)hexanoic acid?
The IUPAC name of 2-(oxetan-3-yloxy)hexanoic acid (CID 102605290) is 2-(oxetan-3-yloxy)hexanoic acid.
What is the SMILES notation for 2-(oxetan-3-yloxy)hexanoic acid?
The canonical SMILES for 2-(oxetan-3-yloxy)hexanoic acid is CCCCC(OC1COC1)C(=O)O.
What is the InChIKey of 2-(oxetan-3-yloxy)hexanoic acid?
The InChIKey is QHGYTUYFRNDWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O4/c1-2-3-4-8(9(10)11)13-7-5-12-6-7/h7-8H,2-6H2,1H3,(H,10,11).
What are the key properties of 2-(oxetan-3-yloxy)hexanoic acid?
2-(oxetan-3-yloxy)hexanoic acid has a molecular weight of 188.22 g/mol, XLogP of 1.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxetan-3-yloxy)hexanoic acid is sourced from PubChem (CID 102605290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).