ethyl 2-hydroxy-3-(oxolan-2-yl)propanoate

C9H16O4 — CID 11788721

IUPACethyl 2-hydroxy-3-(oxolan-2-yl)propanoate
SMILESCCOC(=O)C(O)CC1CCCO1
InChIInChI=1S/C9H16O4/c1-2-12-9(11)8(10)6-7-4-3-5-13-7/h7-8,10H,2-6H2,1H3
InChIKeyMHQCWJZNSJZXLI-UHFFFAOYSA-N
MW188.22 g/mol
LogP0.48
Rot. Bonds4

About ethyl 2-hydroxy-3-(oxolan-2-yl)propanoate

ethyl 2-hydroxy-3-(oxolan-2-yl)propanoate (PubChem CID 11788721) has the molecular formula C9H16O4 and a molecular weight of 188.22 g/mol. Its IUPAC name is ethyl 2-hydroxy-3-(oxolan-2-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-hydroxy-3-(oxolan-2-yl)propanoate
PubChem CID11788721
Molecular FormulaC9H16O4
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Nameethyl 2-hydroxy-3-(oxolan-2-yl)propanoate
SMILESCCOC(=O)C(O)CC1CCCO1
InChIInChI=1S/C9H16O4/c1-2-12-9(11)8(10)6-7-4-3-5-13-7/h7-8,10H,2-6H2,1H3
InChIKeyMHQCWJZNSJZXLI-UHFFFAOYSA-N
XLogP0.48
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-hydroxy-3-[(2R)-oxolan-2-yl]propanoate
CID 67130803
ethyl (2R)-4-oxo-2-[[(2S)-oxolan-2-yl]methyl]butanoate
CID 135077669
ethyl 2-methoxy-3-(oxan-2-yl)propanoate
CID 10727451
ethyl 2-(oxan-2-ylmethyl)-3-oxobutanoate
CID 15304158
[(2R)-oxolan-2-yl]methyl propanoate
CID 36691172
ethyl 6-amino-3,4,7-trimethyl-5-oxo-2-(oxolan-2-ylmethyl)nonanoate
CID 91484828
dipropan-2-yl 2-(oxolan-2-ylmethyl)propanedioate
CID 103972667
ethyl 3-methyl-2-(oxolan-2-ylmethylamino)but-3-enoate
CID 114784517
ethyl 2-[2-(oxacyclononadec-2-yl)ethyl]hexanoate
CID 173129378
ethyl 2-[[(2R)-oxolan-2-yl]methoxy]acetate
CID 28940137
(2-ethoxy-2-oxoethyl) 2-(oxolan-2-yl)acetate
CID 78876031
ethyl 2-[hydroxy(oxolan-2-yl)methyl]butanoate
CID 82837689

Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-3-(oxolan-2-yl)propanoate?
The IUPAC name of ethyl 2-hydroxy-3-(oxolan-2-yl)propanoate (CID 11788721) is ethyl 2-hydroxy-3-(oxolan-2-yl)propanoate.
What is the SMILES notation for ethyl 2-hydroxy-3-(oxolan-2-yl)propanoate?
The canonical SMILES for ethyl 2-hydroxy-3-(oxolan-2-yl)propanoate is CCOC(=O)C(O)CC1CCCO1.
What is the InChIKey of ethyl 2-hydroxy-3-(oxolan-2-yl)propanoate?
The InChIKey is MHQCWJZNSJZXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O4/c1-2-12-9(11)8(10)6-7-4-3-5-13-7/h7-8,10H,2-6H2,1H3.
What are the key properties of ethyl 2-hydroxy-3-(oxolan-2-yl)propanoate?
ethyl 2-hydroxy-3-(oxolan-2-yl)propanoate has a molecular weight of 188.22 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-3-(oxolan-2-yl)propanoate is sourced from PubChem (CID 11788721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).