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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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).