methyl 2-(5-hydroxy-2-methyl-1,3-dioxan-2-yl)acetate

C8H14O5 — CID 130129881

IUPACmethyl 2-(5-hydroxy-2-methyl-1,3-dioxan-2-yl)acetate
SMILESCOC(=O)CC1(C)OCC(O)CO1
InChIInChI=1S/C8H14O5/c1-8(3-7(10)11-2)12-4-6(9)5-13-8/h6,9H,3-5H2,1-2H3
InChIKeyQMBUFYGXERKBIY-UHFFFAOYSA-N
MW190.19 g/mol
LogP-0.33
Rot. Bonds2

About methyl 2-(5-hydroxy-2-methyl-1,3-dioxan-2-yl)acetate

methyl 2-(5-hydroxy-2-methyl-1,3-dioxan-2-yl)acetate (PubChem CID 130129881) has the molecular formula C8H14O5 and a molecular weight of 190.19 g/mol. Its IUPAC name is methyl 2-(5-hydroxy-2-methyl-1,3-dioxan-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(5-hydroxy-2-methyl-1,3-dioxan-2-yl)acetate
PubChem CID130129881
Molecular FormulaC8H14O5
Molecular Weight190.19 g/mol
Exact Mass190.08
IUPAC Namemethyl 2-(5-hydroxy-2-methyl-1,3-dioxan-2-yl)acetate
SMILESCOC(=O)CC1(C)OCC(O)CO1
InChIInChI=1S/C8H14O5/c1-8(3-7(10)11-2)12-4-6(9)5-13-8/h6,9H,3-5H2,1-2H3
InChIKeyQMBUFYGXERKBIY-UHFFFAOYSA-N
XLogP-0.33
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.19
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(2,5-dimethyl-1,3-dioxan-2-yl)acetate
CID 143088707
[2-(2-methyl-1,3-dioxolan-2-yl)acetyl] 2-(2-methyl-1,3-dioxolan-2-yl)acetate
CID 154641855
2-(2-methoxy-2-oxoethyl)oxirane-2-carboxylic acid
CID 74432253
methyl 2-(2,4-dihydroxy-1-methyl-7-oxabicyclo[4.1.0]heptan-2-yl)acetate
CID 22952272
methyl 2-[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]acetate
CID 117169751
methyl 2-(1-hydroxycyclobutyl)acetate
CID 59069629
methyl 2-ethyl-2-methyl-1,3-dioxolane-4-carboxylate
CID 175220005
methyl 2-(3-methyl-2-oxooxolan-3-yl)acetate
CID 86198190
methyl 2-[(2S)-2-methyl-4-oxooxetan-2-yl]acetate
CID 11019132
ethyl 2-[(2S,4aR,6S,7R,8R,8aS)-7,8-dihydroxy-6-methoxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-2-yl]acetate
CID 100993310
methyl 2-[(1S,3S,4R)-3-hydroxy-4,7,7-trimethyl-1-bicyclo[2.2.1]heptanyl]acetate
CID 98469645
methyl 2-[(1S,3S,5S)-3-methoxy-6,8-dioxabicyclo[3.2.1]octan-5-yl]acetate
CID 101055956

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-hydroxy-2-methyl-1,3-dioxan-2-yl)acetate?
The IUPAC name of methyl 2-(5-hydroxy-2-methyl-1,3-dioxan-2-yl)acetate (CID 130129881) is methyl 2-(5-hydroxy-2-methyl-1,3-dioxan-2-yl)acetate.
What is the SMILES notation for methyl 2-(5-hydroxy-2-methyl-1,3-dioxan-2-yl)acetate?
The canonical SMILES for methyl 2-(5-hydroxy-2-methyl-1,3-dioxan-2-yl)acetate is COC(=O)CC1(C)OCC(O)CO1.
What is the InChIKey of methyl 2-(5-hydroxy-2-methyl-1,3-dioxan-2-yl)acetate?
The InChIKey is QMBUFYGXERKBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O5/c1-8(3-7(10)11-2)12-4-6(9)5-13-8/h6,9H,3-5H2,1-2H3.
What are the key properties of methyl 2-(5-hydroxy-2-methyl-1,3-dioxan-2-yl)acetate?
methyl 2-(5-hydroxy-2-methyl-1,3-dioxan-2-yl)acetate has a molecular weight of 190.19 g/mol, XLogP of -0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-hydroxy-2-methyl-1,3-dioxan-2-yl)acetate is sourced from PubChem (CID 130129881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).