ethyl 2-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(4-methoxyphenyl)methoxy]acetate

C17H24O6 — CID 11012767

IUPACethyl 2-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(4-methoxyphenyl)methoxy]acetate
SMILESCCOC(=O)CO[C@H](c1ccc(OC)cc1)[C@H]1COC(C)(C)O1
InChIInChI=1S/C17H24O6/c1-5-20-15(18)11-21-16(14-10-22-17(2,3)23-14)12-6-8-13(19-4)9-7-12/h6-9,14,16H,5,10-11H2,1-4H3/t14-,16-/m1/s1
InChIKeyPKPQJKGMMBPQQJ-GDBMZVCRSA-N
MW324.37 g/mol
LogP2.47
Rot. Bonds7

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

ethyl 2-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(4-methoxyphenyl)methoxy]acetate (PubChem CID 11012767) has the molecular formula C17H24O6 and a molecular weight of 324.37 g/mol. Its IUPAC name is ethyl 2-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(4-methoxyphenyl)methoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(4-methoxyphenyl)methoxy]acetate
PubChem CID11012767
Molecular FormulaC17H24O6
Molecular Weight324.37 g/mol
Exact Mass324.16
IUPAC Nameethyl 2-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(4-methoxyphenyl)methoxy]acetate
SMILESCCOC(=O)CO[C@H](c1ccc(OC)cc1)[C@H]1COC(C)(C)O1
InChIInChI=1S/C17H24O6/c1-5-20-15(18)11-21-16(14-10-22-17(2,3)23-14)12-6-8-13(19-4)9-7-12/h6-9,14,16H,5,10-11H2,1-4H3/t14-,16-/m1/s1
InChIKeyPKPQJKGMMBPQQJ-GDBMZVCRSA-N
XLogP2.47
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(4-methoxyphenyl)methoxy]acetate?
The IUPAC name of ethyl 2-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(4-methoxyphenyl)methoxy]acetate (CID 11012767) is ethyl 2-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(4-methoxyphenyl)methoxy]acetate.
What is the SMILES notation for ethyl 2-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(4-methoxyphenyl)methoxy]acetate?
The canonical SMILES for ethyl 2-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(4-methoxyphenyl)methoxy]acetate is CCOC(=O)CO[C@H](c1ccc(OC)cc1)[C@H]1COC(C)(C)O1.
What is the InChIKey of ethyl 2-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(4-methoxyphenyl)methoxy]acetate?
The InChIKey is PKPQJKGMMBPQQJ-GDBMZVCRSA-N. The full InChI is InChI=1S/C17H24O6/c1-5-20-15(18)11-21-16(14-10-22-17(2,3)23-14)12-6-8-13(19-4)9-7-12/h6-9,14,16H,5,10-11H2,1-4H3/t14-,16-/m1/s1.
What are the key properties of ethyl 2-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(4-methoxyphenyl)methoxy]acetate?
ethyl 2-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(4-methoxyphenyl)methoxy]acetate has a molecular weight of 324.37 g/mol, XLogP of 2.47, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(4-methoxyphenyl)methoxy]acetate is sourced from PubChem (CID 11012767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).