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

C10H18O5 — CID 22904249

IUPAC2-[(2,2,5-trimethyl-1,3-dioxan-5-yl)methoxy]acetic acid
SMILESCC1(COCC(=O)O)COC(C)(C)OC1
InChIInChI=1S/C10H18O5/c1-9(2)14-6-10(3,7-15-9)5-13-4-8(11)12/h4-7H2,1-3H3,(H,11,12)
InChIKeyNWIJUTWDMFCPEQ-UHFFFAOYSA-N
MW218.25 g/mol
LogP0.88
Rot. Bonds4

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

2-[(2,2,5-trimethyl-1,3-dioxan-5-yl)methoxy]acetic acid (PubChem CID 22904249) has the molecular formula C10H18O5 and a molecular weight of 218.25 g/mol. Its IUPAC name is 2-[(2,2,5-trimethyl-1,3-dioxan-5-yl)methoxy]acetic acid.

Molecular Properties

Compound Name2-[(2,2,5-trimethyl-1,3-dioxan-5-yl)methoxy]acetic acid
PubChem CID22904249
Molecular FormulaC10H18O5
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Name2-[(2,2,5-trimethyl-1,3-dioxan-5-yl)methoxy]acetic acid
SMILESCC1(COCC(=O)O)COC(C)(C)OC1
InChIInChI=1S/C10H18O5/c1-9(2)14-6-10(3,7-15-9)5-13-4-8(11)12/h4-7H2,1-3H3,(H,11,12)
InChIKeyNWIJUTWDMFCPEQ-UHFFFAOYSA-N
XLogP0.88
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,2,5-trimethyl-1,3-dioxan-5-yl)methoxy]acetic acid?
The IUPAC name of 2-[(2,2,5-trimethyl-1,3-dioxan-5-yl)methoxy]acetic acid (CID 22904249) is 2-[(2,2,5-trimethyl-1,3-dioxan-5-yl)methoxy]acetic acid.
What is the SMILES notation for 2-[(2,2,5-trimethyl-1,3-dioxan-5-yl)methoxy]acetic acid?
The canonical SMILES for 2-[(2,2,5-trimethyl-1,3-dioxan-5-yl)methoxy]acetic acid is CC1(COCC(=O)O)COC(C)(C)OC1.
What is the InChIKey of 2-[(2,2,5-trimethyl-1,3-dioxan-5-yl)methoxy]acetic acid?
The InChIKey is NWIJUTWDMFCPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O5/c1-9(2)14-6-10(3,7-15-9)5-13-4-8(11)12/h4-7H2,1-3H3,(H,11,12).
What are the key properties of 2-[(2,2,5-trimethyl-1,3-dioxan-5-yl)methoxy]acetic acid?
2-[(2,2,5-trimethyl-1,3-dioxan-5-yl)methoxy]acetic acid has a molecular weight of 218.25 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2,5-trimethyl-1,3-dioxan-5-yl)methoxy]acetic acid is sourced from PubChem (CID 22904249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).