(4-methoxy-2-propoxy-3,4-dihydro-2H-pyran-5-yl) acetate

C11H18O5 — CID 70879961

IUPAC(4-methoxy-2-propoxy-3,4-dihydro-2H-pyran-5-yl) acetate
SMILESCCCOC1CC(OC)C(OC(C)=O)=CO1
InChIInChI=1S/C11H18O5/c1-4-5-14-11-6-9(13-3)10(7-15-11)16-8(2)12/h7,9,11H,4-6H2,1-3H3
InChIKeyMVRIDVQGNOPGBY-UHFFFAOYSA-N
MW230.26 g/mol
LogP1.58
Rot. Bonds5

About (4-methoxy-2-propoxy-3,4-dihydro-2H-pyran-5-yl) acetate

(4-methoxy-2-propoxy-3,4-dihydro-2H-pyran-5-yl) acetate (PubChem CID 70879961) has the molecular formula C11H18O5 and a molecular weight of 230.26 g/mol. Its IUPAC name is (4-methoxy-2-propoxy-3,4-dihydro-2H-pyran-5-yl) acetate.

Molecular Properties

Compound Name(4-methoxy-2-propoxy-3,4-dihydro-2H-pyran-5-yl) acetate
PubChem CID70879961
Molecular FormulaC11H18O5
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Name(4-methoxy-2-propoxy-3,4-dihydro-2H-pyran-5-yl) acetate
SMILESCCCOC1CC(OC)C(OC(C)=O)=CO1
InChIInChI=1S/C11H18O5/c1-4-5-14-11-6-9(13-3)10(7-15-11)16-8(2)12/h7,9,11H,4-6H2,1-3H3
InChIKeyMVRIDVQGNOPGBY-UHFFFAOYSA-N
XLogP1.58
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-methoxy-2-propoxy-3,4-dihydro-2H-pyran-5-yl) acetate?
The IUPAC name of (4-methoxy-2-propoxy-3,4-dihydro-2H-pyran-5-yl) acetate (CID 70879961) is (4-methoxy-2-propoxy-3,4-dihydro-2H-pyran-5-yl) acetate.
What is the SMILES notation for (4-methoxy-2-propoxy-3,4-dihydro-2H-pyran-5-yl) acetate?
The canonical SMILES for (4-methoxy-2-propoxy-3,4-dihydro-2H-pyran-5-yl) acetate is CCCOC1CC(OC)C(OC(C)=O)=CO1.
What is the InChIKey of (4-methoxy-2-propoxy-3,4-dihydro-2H-pyran-5-yl) acetate?
The InChIKey is MVRIDVQGNOPGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O5/c1-4-5-14-11-6-9(13-3)10(7-15-11)16-8(2)12/h7,9,11H,4-6H2,1-3H3.
What are the key properties of (4-methoxy-2-propoxy-3,4-dihydro-2H-pyran-5-yl) acetate?
(4-methoxy-2-propoxy-3,4-dihydro-2H-pyran-5-yl) acetate has a molecular weight of 230.26 g/mol, XLogP of 1.58, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-2-propoxy-3,4-dihydro-2H-pyran-5-yl) acetate is sourced from PubChem (CID 70879961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).