methane;2-(4-methyl-2-oxo-1,3-dioxan-4-yl)acetic acid

C8H14O5 — CID 160909748

IUPACmethane;2-(4-methyl-2-oxo-1,3-dioxan-4-yl)acetic acid
SMILESC.CC1(CC(=O)O)CCOC(=O)O1
InChIInChI=1S/C7H10O5.CH4/c1-7(4-5(8)9)2-3-11-6(10)12-7;/h2-4H2,1H3,(H,8,9);1H4
InChIKeySQPQFHOJOBPYKU-UHFFFAOYSA-N
MW190.19 g/mol
LogP1.41
Rot. Bonds2

About methane;2-(4-methyl-2-oxo-1,3-dioxan-4-yl)acetic acid

methane;2-(4-methyl-2-oxo-1,3-dioxan-4-yl)acetic acid (PubChem CID 160909748) has the molecular formula C8H14O5 and a molecular weight of 190.19 g/mol. Its IUPAC name is methane;2-(4-methyl-2-oxo-1,3-dioxan-4-yl)acetic acid.

Molecular Properties

Compound Namemethane;2-(4-methyl-2-oxo-1,3-dioxan-4-yl)acetic acid
PubChem CID160909748
Molecular FormulaC8H14O5
Molecular Weight190.19 g/mol
Exact Mass190.08
IUPAC Namemethane;2-(4-methyl-2-oxo-1,3-dioxan-4-yl)acetic acid
SMILESC.CC1(CC(=O)O)CCOC(=O)O1
InChIInChI=1S/C7H10O5.CH4/c1-7(4-5(8)9)2-3-11-6(10)12-7;/h2-4H2,1H3,(H,8,9);1H4
InChIKeySQPQFHOJOBPYKU-UHFFFAOYSA-N
XLogP1.41
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.19
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methyloxiran-2-yl)acetic acid
CID 87261352
4-chloro-4-methyl-1,3-dioxan-2-one
CID 154202045
2-(2,6,6-trimethyl-4-oxo-5,7-dihydro-3H-1-benzofuran-2-yl)acetic acid
CID 57367978
2-[(5R)-5-methyl-2,4-dioxo-1,3-oxazolidin-5-yl]acetic acid
CID 86707728
2-(2-methyl-4-oxo-6-phenyl-3H-chromen-2-yl)acetic acid
CID 82019255
2-[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]acetic acid
CID 94425211
2-[(1R,2'S,4aS,8aS)-2',5,5,8a-tetramethyl-3-oxospiro[4a,6,7,8-tetrahydro-4H-isochromene-1,5'-oxolane]-2'-yl]acetic acid
CID 14430850
oxolan-3-ylmethyl 4-methyl-2-oxo-1,3-dioxane-4-carboxylate
CID 130226901
2-(2,4-dimethyl-1,3-dioxol-2-yl)acetic acid
CID 141319368
2-[(1R,4S,7R)-1,7-dimethyl-2,3-dioxo-7-bicyclo[2.2.1]heptanyl]acetic acid
CID 129374708
methyl 2-(2-methyl-5-oxooxolan-2-yl)acetate
CID 14542737
methyl 2-(3-methyl-2-oxooxolan-3-yl)acetate
CID 86198190

Frequently Asked Questions

What is the IUPAC name of methane;2-(4-methyl-2-oxo-1,3-dioxan-4-yl)acetic acid?
The IUPAC name of methane;2-(4-methyl-2-oxo-1,3-dioxan-4-yl)acetic acid (CID 160909748) is methane;2-(4-methyl-2-oxo-1,3-dioxan-4-yl)acetic acid.
What is the SMILES notation for methane;2-(4-methyl-2-oxo-1,3-dioxan-4-yl)acetic acid?
The canonical SMILES for methane;2-(4-methyl-2-oxo-1,3-dioxan-4-yl)acetic acid is C.CC1(CC(=O)O)CCOC(=O)O1.
What is the InChIKey of methane;2-(4-methyl-2-oxo-1,3-dioxan-4-yl)acetic acid?
The InChIKey is SQPQFHOJOBPYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O5.CH4/c1-7(4-5(8)9)2-3-11-6(10)12-7;/h2-4H2,1H3,(H,8,9);1H4.
What are the key properties of methane;2-(4-methyl-2-oxo-1,3-dioxan-4-yl)acetic acid?
methane;2-(4-methyl-2-oxo-1,3-dioxan-4-yl)acetic acid has a molecular weight of 190.19 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-(4-methyl-2-oxo-1,3-dioxan-4-yl)acetic acid is sourced from PubChem (CID 160909748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).