methyl 3-(2,5-diethyloxolan-3-yl)-3-(oxan-2-yloxy)propanoate

C17H30O5 — CID 21351643

IUPACmethyl 3-(2,5-diethyloxolan-3-yl)-3-(oxan-2-yloxy)propanoate
SMILESCCC1CC(C(CC(=O)OC)OC2CCCCO2)C(CC)O1
InChIInChI=1S/C17H30O5/c1-4-12-10-13(14(5-2)21-12)15(11-16(18)19-3)22-17-8-6-7-9-20-17/h12-15,17H,4-11H2,1-3H3
InChIKeyOAVAFSUCNLMBPN-UHFFFAOYSA-N
MW314.42 g/mol
LogP3.06
Rot. Bonds7

About methyl 3-(2,5-diethyloxolan-3-yl)-3-(oxan-2-yloxy)propanoate

methyl 3-(2,5-diethyloxolan-3-yl)-3-(oxan-2-yloxy)propanoate (PubChem CID 21351643) has the molecular formula C17H30O5 and a molecular weight of 314.42 g/mol. Its IUPAC name is methyl 3-(2,5-diethyloxolan-3-yl)-3-(oxan-2-yloxy)propanoate.

Molecular Properties

Compound Namemethyl 3-(2,5-diethyloxolan-3-yl)-3-(oxan-2-yloxy)propanoate
PubChem CID21351643
Molecular FormulaC17H30O5
Molecular Weight314.42 g/mol
Exact Mass314.21
IUPAC Namemethyl 3-(2,5-diethyloxolan-3-yl)-3-(oxan-2-yloxy)propanoate
SMILESCCC1CC(C(CC(=O)OC)OC2CCCCO2)C(CC)O1
InChIInChI=1S/C17H30O5/c1-4-12-10-13(14(5-2)21-12)15(11-16(18)19-3)22-17-8-6-7-9-20-17/h12-15,17H,4-11H2,1-3H3
InChIKeyOAVAFSUCNLMBPN-UHFFFAOYSA-N
XLogP3.06
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.42
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(2,5-diethyloxolan-3-yl)-3-(oxan-2-yloxy)propanoate?
The IUPAC name of methyl 3-(2,5-diethyloxolan-3-yl)-3-(oxan-2-yloxy)propanoate (CID 21351643) is methyl 3-(2,5-diethyloxolan-3-yl)-3-(oxan-2-yloxy)propanoate.
What is the SMILES notation for methyl 3-(2,5-diethyloxolan-3-yl)-3-(oxan-2-yloxy)propanoate?
The canonical SMILES for methyl 3-(2,5-diethyloxolan-3-yl)-3-(oxan-2-yloxy)propanoate is CCC1CC(C(CC(=O)OC)OC2CCCCO2)C(CC)O1.
What is the InChIKey of methyl 3-(2,5-diethyloxolan-3-yl)-3-(oxan-2-yloxy)propanoate?
The InChIKey is OAVAFSUCNLMBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O5/c1-4-12-10-13(14(5-2)21-12)15(11-16(18)19-3)22-17-8-6-7-9-20-17/h12-15,17H,4-11H2,1-3H3.
What are the key properties of methyl 3-(2,5-diethyloxolan-3-yl)-3-(oxan-2-yloxy)propanoate?
methyl 3-(2,5-diethyloxolan-3-yl)-3-(oxan-2-yloxy)propanoate has a molecular weight of 314.42 g/mol, XLogP of 3.06, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2,5-diethyloxolan-3-yl)-3-(oxan-2-yloxy)propanoate is sourced from PubChem (CID 21351643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).