2-[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-oxoethoxy]acetic acid

C10H16O7 — CID 146446180

IUPAC2-[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-oxoethoxy]acetic acid
SMILESCC1(C)OCC(COC(=O)COCC(=O)O)O1
InChIInChI=1S/C10H16O7/c1-10(2)16-4-7(17-10)3-15-9(13)6-14-5-8(11)12/h7H,3-6H2,1-2H3,(H,11,12)
InChIKeyFSMGTJBKZSXZQG-UHFFFAOYSA-N
MW248.23 g/mol
LogP-0.22
Rot. Bonds6

About 2-[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-oxoethoxy]acetic acid

2-[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-oxoethoxy]acetic acid (PubChem CID 146446180) has the molecular formula C10H16O7 and a molecular weight of 248.23 g/mol. Its IUPAC name is 2-[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-oxoethoxy]acetic acid
PubChem CID146446180
Molecular FormulaC10H16O7
Molecular Weight248.23 g/mol
Exact Mass248.09
IUPAC Name2-[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-oxoethoxy]acetic acid
SMILESCC1(C)OCC(COC(=O)COCC(=O)O)O1
InChIInChI=1S/C10H16O7/c1-10(2)16-4-7(17-10)3-15-9(13)6-14-5-8(11)12/h7H,3-6H2,1-2H3,(H,11,12)
InChIKeyFSMGTJBKZSXZQG-UHFFFAOYSA-N
XLogP-0.22
TPSA91.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-[2-[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-oxoethoxy]ethoxy]acetate
CID 163831813
(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-methoxyacetate
CID 91593989
(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-[[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-oxoethyl]amino]acetate
CID 132839018
[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxymethanethioic S-acid
CID 145333613
(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-propylpentanoate;ethane
CID 142383371
(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-ethylsulfanylacetate
CID 144775228
[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl heptacosanoate
CID 71770385
(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 8-bromooctanoate
CID 10688302
(2,2-dimethyl-1,3-dioxolan-4-yl)methyl octanoate
CID 11230661
2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]acetic acid
CID 14141015
(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 1-methylcyclohexane-1-carboxylate
CID 54127614
(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 13-methyltetradecanoate
CID 10760747

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-oxoethoxy]acetic acid (CID 146446180) is 2-[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-oxoethoxy]acetic acid is CC1(C)OCC(COC(=O)COCC(=O)O)O1.
What is the InChIKey of 2-[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-oxoethoxy]acetic acid?
The InChIKey is FSMGTJBKZSXZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O7/c1-10(2)16-4-7(17-10)3-15-9(13)6-14-5-8(11)12/h7H,3-6H2,1-2H3,(H,11,12).
What are the key properties of 2-[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-oxoethoxy]acetic acid?
2-[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-oxoethoxy]acetic acid has a molecular weight of 248.23 g/mol, XLogP of -0.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 146446180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).