ethyl 2-[6-(2-hydroxyethyl)-3-methyloxan-2-yl]acetate

C12H22O4 — CID 72956551

IUPACethyl 2-[6-(2-hydroxyethyl)-3-methyloxan-2-yl]acetate
SMILESCCOC(=O)CC1OC(CCO)CCC1C
InChIInChI=1S/C12H22O4/c1-3-15-12(14)8-11-9(2)4-5-10(16-11)6-7-13/h9-11,13H,3-8H2,1-2H3
InChIKeyBPTZGCGSZAXXFT-UHFFFAOYSA-N
MW230.30 g/mol
LogP1.51
Rot. Bonds5

About ethyl 2-[6-(2-hydroxyethyl)-3-methyloxan-2-yl]acetate

ethyl 2-[6-(2-hydroxyethyl)-3-methyloxan-2-yl]acetate (PubChem CID 72956551) has the molecular formula C12H22O4 and a molecular weight of 230.30 g/mol. Its IUPAC name is ethyl 2-[6-(2-hydroxyethyl)-3-methyloxan-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[6-(2-hydroxyethyl)-3-methyloxan-2-yl]acetate
PubChem CID72956551
Molecular FormulaC12H22O4
Molecular Weight230.30 g/mol
Exact Mass230.15
IUPAC Nameethyl 2-[6-(2-hydroxyethyl)-3-methyloxan-2-yl]acetate
SMILESCCOC(=O)CC1OC(CCO)CCC1C
InChIInChI=1S/C12H22O4/c1-3-15-12(14)8-11-9(2)4-5-10(16-11)6-7-13/h9-11,13H,3-8H2,1-2H3
InChIKeyBPTZGCGSZAXXFT-UHFFFAOYSA-N
XLogP1.51
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[6-(2-hydroxyethyl)-3-methyloxan-2-yl]acetate?
The IUPAC name of ethyl 2-[6-(2-hydroxyethyl)-3-methyloxan-2-yl]acetate (CID 72956551) is ethyl 2-[6-(2-hydroxyethyl)-3-methyloxan-2-yl]acetate.
What is the SMILES notation for ethyl 2-[6-(2-hydroxyethyl)-3-methyloxan-2-yl]acetate?
The canonical SMILES for ethyl 2-[6-(2-hydroxyethyl)-3-methyloxan-2-yl]acetate is CCOC(=O)CC1OC(CCO)CCC1C.
What is the InChIKey of ethyl 2-[6-(2-hydroxyethyl)-3-methyloxan-2-yl]acetate?
The InChIKey is BPTZGCGSZAXXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O4/c1-3-15-12(14)8-11-9(2)4-5-10(16-11)6-7-13/h9-11,13H,3-8H2,1-2H3.
What are the key properties of ethyl 2-[6-(2-hydroxyethyl)-3-methyloxan-2-yl]acetate?
ethyl 2-[6-(2-hydroxyethyl)-3-methyloxan-2-yl]acetate has a molecular weight of 230.30 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[6-(2-hydroxyethyl)-3-methyloxan-2-yl]acetate is sourced from PubChem (CID 72956551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).