methyl 2-hydroxyacetate;2-(oxan-2-yloxy)oxane

C13H24O6 — CID 67915115

IUPACmethyl 2-hydroxyacetate;2-(oxan-2-yloxy)oxane
SMILESC1CCC(OC2CCCCO2)OC1.COC(=O)CO
InChIInChI=1S/C10H18O3.C3H6O3/c1-3-7-11-9(5-1)13-10-6-2-4-8-12-10;1-6-3(5)2-4/h9-10H,1-8H2;4H,2H2,1H3
InChIKeyYDVQUSPWDWNBMK-UHFFFAOYSA-N
MW276.33 g/mol
LogP1.21
Rot. Bonds3

About methyl 2-hydroxyacetate;2-(oxan-2-yloxy)oxane

methyl 2-hydroxyacetate;2-(oxan-2-yloxy)oxane (PubChem CID 67915115) has the molecular formula C13H24O6 and a molecular weight of 276.33 g/mol. Its IUPAC name is methyl 2-hydroxyacetate;2-(oxan-2-yloxy)oxane.

Molecular Properties

Compound Namemethyl 2-hydroxyacetate;2-(oxan-2-yloxy)oxane
PubChem CID67915115
Molecular FormulaC13H24O6
Molecular Weight276.33 g/mol
Exact Mass276.16
IUPAC Namemethyl 2-hydroxyacetate;2-(oxan-2-yloxy)oxane
SMILESC1CCC(OC2CCCCO2)OC1.COC(=O)CO
InChIInChI=1S/C10H18O3.C3H6O3/c1-3-7-11-9(5-1)13-10-6-2-4-8-12-10;1-6-3(5)2-4/h9-10H,1-8H2;4H,2H2,1H3
InChIKeyYDVQUSPWDWNBMK-UHFFFAOYSA-N
XLogP1.21
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 6-(oxan-2-yloxy)hexanoate
CID 10955377
methyl (4S)-4-[(2S)-oxan-2-yl]oxypentanoate
CID 11746035
methyl 8-(oxan-2-yloxy)-3,6-dioxooctanoate
CID 25053429
5-O-methyl 1-O-(oxepan-2-yl) (E)-pent-2-enedioate
CID 146659879
methyl (Z)-6-(oxan-2-yloxy)hex-4-enoate
CID 11310730
methyl 2-[(1R,2S)-2-(methoxymethyl)-3-(oxan-2-yloxy)-5-oxocyclopentyl]acetate
CID 22828442
[(1S,2S)-2-[(2R)-oxan-2-yl]oxycyclopentyl]methanol
CID 98113125
oxan-2-yl butanoate
CID 14932559
methyl (2R)-2-methyl-3-[(2R)-oxan-2-yl]oxypropanoate
CID 92975409
methyl (2S)-2-methyl-3-(oxan-2-yloxy)propanoate
CID 11195022
cyclohexyl-[4-(oxan-2-yloxy)cyclohexyl]methanone
CID 140522461
methyl 11-(2-methoxy-2-oxoethyl)-9-(oxan-2-yloxy)-11-azabicyclo[4.4.1]undecane-3-carboxylate
CID 58956867

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxyacetate;2-(oxan-2-yloxy)oxane?
The IUPAC name of methyl 2-hydroxyacetate;2-(oxan-2-yloxy)oxane (CID 67915115) is methyl 2-hydroxyacetate;2-(oxan-2-yloxy)oxane.
What is the SMILES notation for methyl 2-hydroxyacetate;2-(oxan-2-yloxy)oxane?
The canonical SMILES for methyl 2-hydroxyacetate;2-(oxan-2-yloxy)oxane is C1CCC(OC2CCCCO2)OC1.COC(=O)CO.
What is the InChIKey of methyl 2-hydroxyacetate;2-(oxan-2-yloxy)oxane?
The InChIKey is YDVQUSPWDWNBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3.C3H6O3/c1-3-7-11-9(5-1)13-10-6-2-4-8-12-10;1-6-3(5)2-4/h9-10H,1-8H2;4H,2H2,1H3.
What are the key properties of methyl 2-hydroxyacetate;2-(oxan-2-yloxy)oxane?
methyl 2-hydroxyacetate;2-(oxan-2-yloxy)oxane has a molecular weight of 276.33 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxyacetate;2-(oxan-2-yloxy)oxane is sourced from PubChem (CID 67915115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).