3-(5-ethyl-3-methoxy-4-methyloxolan-2-yl)propane-1,2-diol

C11H22O4 — CID 18716212

IUPAC3-(5-ethyl-3-methoxy-4-methyloxolan-2-yl)propane-1,2-diol
SMILESCCC1OC(CC(O)CO)C(OC)C1C
InChIInChI=1S/C11H22O4/c1-4-9-7(2)11(14-3)10(15-9)5-8(13)6-12/h7-13H,4-6H2,1-3H3
InChIKeyVYMIBEXDFMCMCS-UHFFFAOYSA-N
MW218.29 g/mol
LogP0.56
Rot. Bonds5

About 3-(5-ethyl-3-methoxy-4-methyloxolan-2-yl)propane-1,2-diol

3-(5-ethyl-3-methoxy-4-methyloxolan-2-yl)propane-1,2-diol (PubChem CID 18716212) has the molecular formula C11H22O4 and a molecular weight of 218.29 g/mol. Its IUPAC name is 3-(5-ethyl-3-methoxy-4-methyloxolan-2-yl)propane-1,2-diol.

Molecular Properties

Compound Name3-(5-ethyl-3-methoxy-4-methyloxolan-2-yl)propane-1,2-diol
PubChem CID18716212
Molecular FormulaC11H22O4
Molecular Weight218.29 g/mol
Exact Mass218.15
IUPAC Name3-(5-ethyl-3-methoxy-4-methyloxolan-2-yl)propane-1,2-diol
SMILESCCC1OC(CC(O)CO)C(OC)C1C
InChIInChI=1S/C11H22O4/c1-4-9-7(2)11(14-3)10(15-9)5-8(13)6-12/h7-13H,4-6H2,1-3H3
InChIKeyVYMIBEXDFMCMCS-UHFFFAOYSA-N
XLogP0.56
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-ethyl-3-methoxy-4-methyloxolan-2-yl)propane-1,2-diol?
The IUPAC name of 3-(5-ethyl-3-methoxy-4-methyloxolan-2-yl)propane-1,2-diol (CID 18716212) is 3-(5-ethyl-3-methoxy-4-methyloxolan-2-yl)propane-1,2-diol.
What is the SMILES notation for 3-(5-ethyl-3-methoxy-4-methyloxolan-2-yl)propane-1,2-diol?
The canonical SMILES for 3-(5-ethyl-3-methoxy-4-methyloxolan-2-yl)propane-1,2-diol is CCC1OC(CC(O)CO)C(OC)C1C.
What is the InChIKey of 3-(5-ethyl-3-methoxy-4-methyloxolan-2-yl)propane-1,2-diol?
The InChIKey is VYMIBEXDFMCMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O4/c1-4-9-7(2)11(14-3)10(15-9)5-8(13)6-12/h7-13H,4-6H2,1-3H3.
What are the key properties of 3-(5-ethyl-3-methoxy-4-methyloxolan-2-yl)propane-1,2-diol?
3-(5-ethyl-3-methoxy-4-methyloxolan-2-yl)propane-1,2-diol has a molecular weight of 218.29 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethyl-3-methoxy-4-methyloxolan-2-yl)propane-1,2-diol is sourced from PubChem (CID 18716212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).