2-(1,3-dioxan-2-yl)acetic acid

C6H10O4 — CID 55299929

IUPAC2-(1,3-dioxan-2-yl)acetic acid
SMILESO=C(O)CC1OCCCO1
InChIInChI=1S/C6H10O4/c7-5(8)4-6-9-2-1-3-10-6/h6H,1-4H2,(H,7,8)
InChIKeyJFSGHJWNQBTIFE-UHFFFAOYSA-N
MW146.14 g/mol
LogP0.22
Rot. Bonds2

About 2-(1,3-dioxan-2-yl)acetic acid

2-(1,3-dioxan-2-yl)acetic acid (PubChem CID 55299929) has the molecular formula C6H10O4 and a molecular weight of 146.14 g/mol. Its IUPAC name is 2-(1,3-dioxan-2-yl)acetic acid.

Molecular Properties

Compound Name2-(1,3-dioxan-2-yl)acetic acid
PubChem CID55299929
Molecular FormulaC6H10O4
Molecular Weight146.14 g/mol
Exact Mass146.06
IUPAC Name2-(1,3-dioxan-2-yl)acetic acid
SMILESO=C(O)CC1OCCCO1
InChIInChI=1S/C6H10O4/c7-5(8)4-6-9-2-1-3-10-6/h6H,1-4H2,(H,7,8)
InChIKeyJFSGHJWNQBTIFE-UHFFFAOYSA-N
XLogP0.22
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

potassium;2-(1,3-dioxan-2-yl)acetic acid;hydride
CID 173013714
1-(1,3-dioxan-2-yl)propan-2-one
CID 12688984
1-(1,3-dioxan-2-yl)-3-hydroxypropan-2-one
CID 44603818
2-[(2R)-oxan-2-yl]acetic acid
CID 6556828
methyl 2-(1,3-dioxan-2-yl)acetate
CID 59252297
1-(1,3-dioxan-2-yl)-N-(1,3-dioxan-2-ylmethyl)methanamine
CID 69028218
2-[2,3,4-tris(carboxymethyl)cyclobutyl]acetic acid
CID 13046627
2-(4-methyl-1,3-dioxolan-2-yl)acetic acid
CID 175556854
2-[2-(1,3-dioxolan-2-yl)ethyl]-1,3-dioxane
CID 91071611
acetonitrile;2-(oxolan-2-yl)acetic acid
CID 67212386
2-(1,3-dioxan-2-yl)-N-prop-2-ynylacetamide
CID 130626703
2-ethyl-1,3-dioxane;bis(prop-2-enoic acid)
CID 161100556

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxan-2-yl)acetic acid?
The IUPAC name of 2-(1,3-dioxan-2-yl)acetic acid (CID 55299929) is 2-(1,3-dioxan-2-yl)acetic acid.
What is the SMILES notation for 2-(1,3-dioxan-2-yl)acetic acid?
The canonical SMILES for 2-(1,3-dioxan-2-yl)acetic acid is O=C(O)CC1OCCCO1.
What is the InChIKey of 2-(1,3-dioxan-2-yl)acetic acid?
The InChIKey is JFSGHJWNQBTIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O4/c7-5(8)4-6-9-2-1-3-10-6/h6H,1-4H2,(H,7,8).
What are the key properties of 2-(1,3-dioxan-2-yl)acetic acid?
2-(1,3-dioxan-2-yl)acetic acid has a molecular weight of 146.14 g/mol, XLogP of 0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxan-2-yl)acetic acid is sourced from PubChem (CID 55299929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).