ethyl 2-(ethoxymethyl)-3-hydroxy-2-(1-hydroxyethyl)-4-methoxybutanoate

C12H24O6 — CID 166814608

IUPACethyl 2-(ethoxymethyl)-3-hydroxy-2-(1-hydroxyethyl)-4-methoxybutanoate
SMILESCCOCC(C(=O)OCC)(C(C)O)C(O)COC
InChIInChI=1S/C12H24O6/c1-5-17-8-12(9(3)13,10(14)7-16-4)11(15)18-6-2/h9-10,13-14H,5-8H2,1-4H3
InChIKeyHYLRGRUCVCYUKB-UHFFFAOYSA-N
MW264.32 g/mol
LogP-0.04
Rot. Bonds9

About ethyl 2-(ethoxymethyl)-3-hydroxy-2-(1-hydroxyethyl)-4-methoxybutanoate

ethyl 2-(ethoxymethyl)-3-hydroxy-2-(1-hydroxyethyl)-4-methoxybutanoate (PubChem CID 166814608) has the molecular formula C12H24O6 and a molecular weight of 264.32 g/mol. Its IUPAC name is ethyl 2-(ethoxymethyl)-3-hydroxy-2-(1-hydroxyethyl)-4-methoxybutanoate.

Molecular Properties

Compound Nameethyl 2-(ethoxymethyl)-3-hydroxy-2-(1-hydroxyethyl)-4-methoxybutanoate
PubChem CID166814608
Molecular FormulaC12H24O6
Molecular Weight264.32 g/mol
Exact Mass264.16
IUPAC Nameethyl 2-(ethoxymethyl)-3-hydroxy-2-(1-hydroxyethyl)-4-methoxybutanoate
SMILESCCOCC(C(=O)OCC)(C(C)O)C(O)COC
InChIInChI=1S/C12H24O6/c1-5-17-8-12(9(3)13,10(14)7-16-4)11(15)18-6-2/h9-10,13-14H,5-8H2,1-4H3
InChIKeyHYLRGRUCVCYUKB-UHFFFAOYSA-N
XLogP-0.04
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-(methoxymethyl)-3-methyl-2-propan-2-ylbutanoate
CID 23297176
ethyl 3-hydroxy-2,2-dimethoxybutanoate
CID 88708132
ethyl (2R,3R)-2-amino-3-hydroxy-2-methylbutanoate
CID 131230217
propan-2-yl 2-(ethoxymethyl)-3-methyl-2-propan-2-ylbutanoate
CID 139783243
1-O-ethyl 3-O-methyl 2-(ethoxymethyl)-2-hydroxypropanedioate
CID 90962392
ethyl 2-(aminomethyl)-2-[2-(3-methoxypropoxy)ethyl]-3-methylbutanoate
CID 106488716
ethyl 2,2,3-triethoxypropanoate
CID 175005029
ethyl 2-(ethoxymethyl)-3-methoxy-2-phenylpropanoate
CID 142276862
5-ethoxy-2-ethoxycarbonyl-4-hydroxy-2-(2-methylpropyl)pentanoic acid
CID 103973962
ethyl 2,2-difluoro-3-(2-methylpropoxy)propanoate
CID 165462467
ethyl 3-(2-methoxyethoxy)-2-methylpropanoate
CID 114997793
ethyl 2-hydroxy-3-methoxy-2-methylpropanoate
CID 20566521

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(ethoxymethyl)-3-hydroxy-2-(1-hydroxyethyl)-4-methoxybutanoate?
The IUPAC name of ethyl 2-(ethoxymethyl)-3-hydroxy-2-(1-hydroxyethyl)-4-methoxybutanoate (CID 166814608) is ethyl 2-(ethoxymethyl)-3-hydroxy-2-(1-hydroxyethyl)-4-methoxybutanoate.
What is the SMILES notation for ethyl 2-(ethoxymethyl)-3-hydroxy-2-(1-hydroxyethyl)-4-methoxybutanoate?
The canonical SMILES for ethyl 2-(ethoxymethyl)-3-hydroxy-2-(1-hydroxyethyl)-4-methoxybutanoate is CCOCC(C(=O)OCC)(C(C)O)C(O)COC.
What is the InChIKey of ethyl 2-(ethoxymethyl)-3-hydroxy-2-(1-hydroxyethyl)-4-methoxybutanoate?
The InChIKey is HYLRGRUCVCYUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O6/c1-5-17-8-12(9(3)13,10(14)7-16-4)11(15)18-6-2/h9-10,13-14H,5-8H2,1-4H3.
What are the key properties of ethyl 2-(ethoxymethyl)-3-hydroxy-2-(1-hydroxyethyl)-4-methoxybutanoate?
ethyl 2-(ethoxymethyl)-3-hydroxy-2-(1-hydroxyethyl)-4-methoxybutanoate has a molecular weight of 264.32 g/mol, XLogP of -0.04, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(ethoxymethyl)-3-hydroxy-2-(1-hydroxyethyl)-4-methoxybutanoate is sourced from PubChem (CID 166814608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).