2-(3-hydroxybutan-2-yloxy)-2-(oxan-3-yl)acetic acid

C11H20O5 — CID 103377892

IUPAC2-(3-hydroxybutan-2-yloxy)-2-(oxan-3-yl)acetic acid
SMILESCC(O)C(C)OC(C(=O)O)C1CCCOC1
InChIInChI=1S/C11H20O5/c1-7(12)8(2)16-10(11(13)14)9-4-3-5-15-6-9/h7-10,12H,3-6H2,1-2H3,(H,13,14)
InChIKeyGLMIUOYJXXLBLK-UHFFFAOYSA-N
MW232.28 g/mol
LogP0.65
Rot. Bonds5

About 2-(3-hydroxybutan-2-yloxy)-2-(oxan-3-yl)acetic acid

2-(3-hydroxybutan-2-yloxy)-2-(oxan-3-yl)acetic acid (PubChem CID 103377892) has the molecular formula C11H20O5 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-(3-hydroxybutan-2-yloxy)-2-(oxan-3-yl)acetic acid.

Molecular Properties

Compound Name2-(3-hydroxybutan-2-yloxy)-2-(oxan-3-yl)acetic acid
PubChem CID103377892
Molecular FormulaC11H20O5
Molecular Weight232.28 g/mol
Exact Mass232.13
IUPAC Name2-(3-hydroxybutan-2-yloxy)-2-(oxan-3-yl)acetic acid
SMILESCC(O)C(C)OC(C(=O)O)C1CCCOC1
InChIInChI=1S/C11H20O5/c1-7(12)8(2)16-10(11(13)14)9-4-3-5-15-6-9/h7-10,12H,3-6H2,1-2H3,(H,13,14)
InChIKeyGLMIUOYJXXLBLK-UHFFFAOYSA-N
XLogP0.65
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-2-(oxan-3-yl)acetic acid
CID 107134850
4-methyl-3-(oxan-3-yl)pentan-2-ol
CID 107137352
2-[hydroxy(oxan-3-yl)methyl]butanoic acid
CID 63740789
ethane;3-propan-2-yloxane
CID 143985480
1-fluoro-1-(oxan-3-yl)propan-2-ol
CID 105431923
2-(oxan-3-yl)butanoic acid
CID 82411862
4-(oxan-3-yl)pentan-2-ol
CID 107137854
(2R)-2-(methoxycarbonylamino)-2-(oxan-3-yl)acetic acid
CID 67007770
2-(oxan-3-yl)-2-[(4-propan-2-ylcyclohexanecarbonyl)amino]acetic acid
CID 120547811
3-(oxan-3-yl)pentan-2-ol
CID 107137335
ethyl (2S)-2-amino-2-[(3R)-oxan-3-yl]acetate
CID 96668920
ethyl (2R)-2-amino-2-[(3S)-oxan-3-yl]acetate
CID 96668917

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxybutan-2-yloxy)-2-(oxan-3-yl)acetic acid?
The IUPAC name of 2-(3-hydroxybutan-2-yloxy)-2-(oxan-3-yl)acetic acid (CID 103377892) is 2-(3-hydroxybutan-2-yloxy)-2-(oxan-3-yl)acetic acid.
What is the SMILES notation for 2-(3-hydroxybutan-2-yloxy)-2-(oxan-3-yl)acetic acid?
The canonical SMILES for 2-(3-hydroxybutan-2-yloxy)-2-(oxan-3-yl)acetic acid is CC(O)C(C)OC(C(=O)O)C1CCCOC1.
What is the InChIKey of 2-(3-hydroxybutan-2-yloxy)-2-(oxan-3-yl)acetic acid?
The InChIKey is GLMIUOYJXXLBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O5/c1-7(12)8(2)16-10(11(13)14)9-4-3-5-15-6-9/h7-10,12H,3-6H2,1-2H3,(H,13,14).
What are the key properties of 2-(3-hydroxybutan-2-yloxy)-2-(oxan-3-yl)acetic acid?
2-(3-hydroxybutan-2-yloxy)-2-(oxan-3-yl)acetic acid has a molecular weight of 232.28 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxybutan-2-yloxy)-2-(oxan-3-yl)acetic acid is sourced from PubChem (CID 103377892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).