2-[[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]methoxy]acetic acid

C10H18O6 — CID 139380932

IUPAC2-[[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]methoxy]acetic acid
SMILESCC1(C)OCC(CO)(COCC(=O)O)CO1
InChIInChI=1S/C10H18O6/c1-9(2)15-6-10(4-11,7-16-9)5-14-3-8(12)13/h11H,3-7H2,1-2H3,(H,12,13)
InChIKeyXGHGMKOCBVKOPS-UHFFFAOYSA-N
MW234.25 g/mol
LogP-0.15
Rot. Bonds5

About 2-[[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]methoxy]acetic acid

2-[[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]methoxy]acetic acid (PubChem CID 139380932) has the molecular formula C10H18O6 and a molecular weight of 234.25 g/mol. Its IUPAC name is 2-[[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]methoxy]acetic acid.

Molecular Properties

Compound Name2-[[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]methoxy]acetic acid
PubChem CID139380932
Molecular FormulaC10H18O6
Molecular Weight234.25 g/mol
Exact Mass234.11
IUPAC Name2-[[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]methoxy]acetic acid
SMILESCC1(C)OCC(CO)(COCC(=O)O)CO1
InChIInChI=1S/C10H18O6/c1-9(2)15-6-10(4-11,7-16-9)5-14-3-8(12)13/h11H,3-7H2,1-2H3,(H,12,13)
InChIKeyXGHGMKOCBVKOPS-UHFFFAOYSA-N
XLogP-0.15
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]methoxy]acetamide
CID 170683553
2-[(2,2,5-trimethyl-1,3-dioxan-5-yl)methoxy]acetic acid
CID 22904249
[5-(butoxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]methanol
CID 68562910
[5-(acetyloxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]methyl-trimethylazanium
CID 135121813
(4-fluorophenyl) 2-[[2,2-dimethyl-5-(trifluoromethylsulfonyloxymethyl)-1,3-dioxan-5-yl]methoxy]acetate
CID 139381003
[3-[(3-ethyloxetan-3-yl)methoxymethyl]oxetan-3-yl]methanol
CID 141464010
2-(2-methyloxiran-2-yl)acetic acid
CID 87261352
2,2-dimethyloxirane;2-propan-2-yloxyacetic acid
CID 174557702
2,2-dimethyl-5,5-dipropyl-1,3-dioxane
CID 15153766
(2-methyloxiran-2-yl)methyl acetate
CID 10103200
(2,2,5-trimethyl-1,3-dioxan-5-yl) acetate
CID 143439186
2-(carboxymethoxy)acetic acid;hydrochloride
CID 174705448

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]methoxy]acetic acid?
The IUPAC name of 2-[[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]methoxy]acetic acid (CID 139380932) is 2-[[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]methoxy]acetic acid.
What is the SMILES notation for 2-[[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]methoxy]acetic acid?
The canonical SMILES for 2-[[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]methoxy]acetic acid is CC1(C)OCC(CO)(COCC(=O)O)CO1.
What is the InChIKey of 2-[[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]methoxy]acetic acid?
The InChIKey is XGHGMKOCBVKOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O6/c1-9(2)15-6-10(4-11,7-16-9)5-14-3-8(12)13/h11H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 2-[[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]methoxy]acetic acid?
2-[[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]methoxy]acetic acid has a molecular weight of 234.25 g/mol, XLogP of -0.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]methoxy]acetic acid is sourced from PubChem (CID 139380932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).