ethyl 3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxybutanoate

C11H20O5 — CID 45103168

IUPACethyl 3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxybutanoate
SMILESCCOC(=O)CC(C)(O)[C@H]1COC(C)(C)O1
InChIInChI=1S/C11H20O5/c1-5-14-9(12)6-11(4,13)8-7-15-10(2,3)16-8/h8,13H,5-7H2,1-4H3/t8-,11?/m1/s1
InChIKeyFBTFIAXXWKNDQW-RZZZFEHKSA-N
MW232.28 g/mol
LogP0.84
Rot. Bonds4

About ethyl 3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxybutanoate

ethyl 3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxybutanoate (PubChem CID 45103168) has the molecular formula C11H20O5 and a molecular weight of 232.28 g/mol. Its IUPAC name is ethyl 3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxybutanoate.

Molecular Properties

Compound Nameethyl 3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxybutanoate
PubChem CID45103168
Molecular FormulaC11H20O5
Molecular Weight232.28 g/mol
Exact Mass232.13
IUPAC Nameethyl 3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxybutanoate
SMILESCCOC(=O)CC(C)(O)[C@H]1COC(C)(C)O1
InChIInChI=1S/C11H20O5/c1-5-14-9(12)6-11(4,13)8-7-15-10(2,3)16-8/h8,13H,5-7H2,1-4H3/t8-,11?/m1/s1
InChIKeyFBTFIAXXWKNDQW-RZZZFEHKSA-N
XLogP0.84
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxybutanoate?
The IUPAC name of ethyl 3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxybutanoate (CID 45103168) is ethyl 3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxybutanoate.
What is the SMILES notation for ethyl 3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxybutanoate?
The canonical SMILES for ethyl 3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxybutanoate is CCOC(=O)CC(C)(O)[C@H]1COC(C)(C)O1.
What is the InChIKey of ethyl 3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxybutanoate?
The InChIKey is FBTFIAXXWKNDQW-RZZZFEHKSA-N. The full InChI is InChI=1S/C11H20O5/c1-5-14-9(12)6-11(4,13)8-7-15-10(2,3)16-8/h8,13H,5-7H2,1-4H3/t8-,11?/m1/s1.
What are the key properties of ethyl 3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxybutanoate?
ethyl 3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxybutanoate has a molecular weight of 232.28 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxybutanoate is sourced from PubChem (CID 45103168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).