ethyl 3-ethoxy-2-[ethoxy(hydroxy)methyl]-3-hydroxypropanoate

C10H20O6 — CID 118281719

IUPACethyl 3-ethoxy-2-[ethoxy(hydroxy)methyl]-3-hydroxypropanoate
SMILESCCOC(=O)C(C(O)OCC)C(O)OCC
InChIInChI=1S/C10H20O6/c1-4-14-8(11)7(9(12)15-5-2)10(13)16-6-3/h7-9,11-12H,4-6H2,1-3H3
InChIKeyNVQFQAOEWJGQRN-UHFFFAOYSA-N
MW236.26 g/mol
LogP-0.12
Rot. Bonds8

About ethyl 3-ethoxy-2-[ethoxy(hydroxy)methyl]-3-hydroxypropanoate

ethyl 3-ethoxy-2-[ethoxy(hydroxy)methyl]-3-hydroxypropanoate (PubChem CID 118281719) has the molecular formula C10H20O6 and a molecular weight of 236.26 g/mol. Its IUPAC name is ethyl 3-ethoxy-2-[ethoxy(hydroxy)methyl]-3-hydroxypropanoate.

Molecular Properties

Compound Nameethyl 3-ethoxy-2-[ethoxy(hydroxy)methyl]-3-hydroxypropanoate
PubChem CID118281719
Molecular FormulaC10H20O6
Molecular Weight236.26 g/mol
Exact Mass236.13
IUPAC Nameethyl 3-ethoxy-2-[ethoxy(hydroxy)methyl]-3-hydroxypropanoate
SMILESCCOC(=O)C(C(O)OCC)C(O)OCC
InChIInChI=1S/C10H20O6/c1-4-14-8(11)7(9(12)15-5-2)10(13)16-6-3/h7-9,11-12H,4-6H2,1-3H3
InChIKeyNVQFQAOEWJGQRN-UHFFFAOYSA-N
XLogP-0.12
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[ethoxy(hydroxy)methyl]pentanoate
CID 123662696
ethyl 2-[cyclopropyl(hydroxy)methyl]-3-methylbutanoate
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diethyl 2-ethyl-3-propan-2-ylbutanedioate
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ethyl 2-amino-2-hydroxyacetate;hydrochloride
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ethyl 2-hydroxypropanoate;sulfane
CID 162209332
ethyl 2-hydroxybutanoate
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ethyl 2-bromo-2-hydroxyacetate
CID 57173380
ethyl 2-chloro-2-hydroxyacetate
CID 19966506
ethyl 2-ethylsulfanyl-2-hydroxyacetate
CID 174269935
ethyl 3-hydroxy-2-propan-2-yldecanoate
CID 15441038
1,3-diethoxy-2-methylpropane-1,3-diol
CID 162410705
ethyl 2-amino-3-ethoxybutanoate
CID 163483403

Frequently Asked Questions

What is the IUPAC name of ethyl 3-ethoxy-2-[ethoxy(hydroxy)methyl]-3-hydroxypropanoate?
The IUPAC name of ethyl 3-ethoxy-2-[ethoxy(hydroxy)methyl]-3-hydroxypropanoate (CID 118281719) is ethyl 3-ethoxy-2-[ethoxy(hydroxy)methyl]-3-hydroxypropanoate.
What is the SMILES notation for ethyl 3-ethoxy-2-[ethoxy(hydroxy)methyl]-3-hydroxypropanoate?
The canonical SMILES for ethyl 3-ethoxy-2-[ethoxy(hydroxy)methyl]-3-hydroxypropanoate is CCOC(=O)C(C(O)OCC)C(O)OCC.
What is the InChIKey of ethyl 3-ethoxy-2-[ethoxy(hydroxy)methyl]-3-hydroxypropanoate?
The InChIKey is NVQFQAOEWJGQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O6/c1-4-14-8(11)7(9(12)15-5-2)10(13)16-6-3/h7-9,11-12H,4-6H2,1-3H3.
What are the key properties of ethyl 3-ethoxy-2-[ethoxy(hydroxy)methyl]-3-hydroxypropanoate?
ethyl 3-ethoxy-2-[ethoxy(hydroxy)methyl]-3-hydroxypropanoate has a molecular weight of 236.26 g/mol, XLogP of -0.12, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-ethoxy-2-[ethoxy(hydroxy)methyl]-3-hydroxypropanoate is sourced from PubChem (CID 118281719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).