2-(1-hydroxypentan-2-yloxy)acetic acid

C7H14O4 — CID 91235022

IUPAC2-(1-hydroxypentan-2-yloxy)acetic acid
SMILESCCCC(CO)OCC(=O)O
InChIInChI=1S/C7H14O4/c1-2-3-6(4-8)11-5-7(9)10/h6,8H,2-5H2,1H3,(H,9,10)
InChIKeyYQJIOONBMWUZER-UHFFFAOYSA-N
MW162.18 g/mol
LogP0.25
Rot. Bonds6

About 2-(1-hydroxypentan-2-yloxy)acetic acid

2-(1-hydroxypentan-2-yloxy)acetic acid (PubChem CID 91235022) has the molecular formula C7H14O4 and a molecular weight of 162.18 g/mol. Its IUPAC name is 2-(1-hydroxypentan-2-yloxy)acetic acid.

Molecular Properties

Compound Name2-(1-hydroxypentan-2-yloxy)acetic acid
PubChem CID91235022
Molecular FormulaC7H14O4
Molecular Weight162.18 g/mol
Exact Mass162.09
IUPAC Name2-(1-hydroxypentan-2-yloxy)acetic acid
SMILESCCCC(CO)OCC(=O)O
InChIInChI=1S/C7H14O4/c1-2-3-6(4-8)11-5-7(9)10/h6,8H,2-5H2,1H3,(H,9,10)
InChIKeyYQJIOONBMWUZER-UHFFFAOYSA-N
XLogP0.25
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.18
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-heptan-4-yloxyacetic acid
CID 88738639
2-propoxypentan-1-ol
CID 140655109
2-heptan-4-yloxyacetamide
CID 145257872
2-(1-hydroxypropan-2-yloxy)acetic acid
CID 23129856
2-(3-hydroxypropoxy)pentan-1-ol
CID 150485791
carbonic acid;2-ethoxypropane-1,3-diol
CID 175422223
2-[(2R)-butan-2-yl]oxyacetic acid
CID 92979817
2-(3-amino-1-chloroheptan-4-yl)oxyacetic acid
CID 89053345
2-butoxyhexan-1-ol;tris(ethane-1,2-diol);3-oxobutanoic acid
CID 173046778
pentane-1,2-diol;propanoic acid
CID 71342512
(4S)-4-acetyloxyheptanoic acid
CID 166058872
2-ethoxypentyl hydrogen carbonate
CID 139923190

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxypentan-2-yloxy)acetic acid?
The IUPAC name of 2-(1-hydroxypentan-2-yloxy)acetic acid (CID 91235022) is 2-(1-hydroxypentan-2-yloxy)acetic acid.
What is the SMILES notation for 2-(1-hydroxypentan-2-yloxy)acetic acid?
The canonical SMILES for 2-(1-hydroxypentan-2-yloxy)acetic acid is CCCC(CO)OCC(=O)O.
What is the InChIKey of 2-(1-hydroxypentan-2-yloxy)acetic acid?
The InChIKey is YQJIOONBMWUZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O4/c1-2-3-6(4-8)11-5-7(9)10/h6,8H,2-5H2,1H3,(H,9,10).
What are the key properties of 2-(1-hydroxypentan-2-yloxy)acetic acid?
2-(1-hydroxypentan-2-yloxy)acetic acid has a molecular weight of 162.18 g/mol, XLogP of 0.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxypentan-2-yloxy)acetic acid is sourced from PubChem (CID 91235022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).