3,4-dihydro-2H-pyran;ethyl acetate

C9H16O3 — CID 174819843

IUPAC3,4-dihydro-2H-pyran;ethyl acetate
SMILESC1=COCCC1.CCOC(C)=O
InChIInChI=1S/C5H8O.C4H8O2/c1-2-4-6-5-3-1;1-3-6-4(2)5/h2,4H,1,3,5H2;3H2,1-2H3
InChIKeyNXZOVGWZOGVGHG-UHFFFAOYSA-N
MW172.22 g/mol
LogP1.88
Rot. Bonds1

About 3,4-dihydro-2H-pyran;ethyl acetate

3,4-dihydro-2H-pyran;ethyl acetate (PubChem CID 174819843) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran;ethyl acetate.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran;ethyl acetate
PubChem CID174819843
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name3,4-dihydro-2H-pyran;ethyl acetate
SMILESC1=COCCC1.CCOC(C)=O
InChIInChI=1S/C5H8O.C4H8O2/c1-2-4-6-5-3-1;1-3-6-4(2)5/h2,4H,1,3,5H2;3H2,1-2H3
InChIKeyNXZOVGWZOGVGHG-UHFFFAOYSA-N
XLogP1.88
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran;ethyl acetate?
The IUPAC name of 3,4-dihydro-2H-pyran;ethyl acetate (CID 174819843) is 3,4-dihydro-2H-pyran;ethyl acetate.
What is the SMILES notation for 3,4-dihydro-2H-pyran;ethyl acetate?
The canonical SMILES for 3,4-dihydro-2H-pyran;ethyl acetate is C1=COCCC1.CCOC(C)=O.
What is the InChIKey of 3,4-dihydro-2H-pyran;ethyl acetate?
The InChIKey is NXZOVGWZOGVGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O.C4H8O2/c1-2-4-6-5-3-1;1-3-6-4(2)5/h2,4H,1,3,5H2;3H2,1-2H3.
What are the key properties of 3,4-dihydro-2H-pyran;ethyl acetate?
3,4-dihydro-2H-pyran;ethyl acetate has a molecular weight of 172.22 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyran;ethyl acetate is sourced from PubChem (CID 174819843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).