[(E)-3-(3,4-dihydro-2H-pyran-6-yl)prop-2-enyl] acetate

C10H14O3 — CID 20732855

IUPAC[(E)-3-(3,4-dihydro-2H-pyran-6-yl)prop-2-enyl] acetate
SMILESCC(=O)OC/C=C/C1=CCCCO1
InChIInChI=1S/C10H14O3/c1-9(11)12-8-4-6-10-5-2-3-7-13-10/h4-6H,2-3,7-8H2,1H3/b6-4+
InChIKeyGDRQLMMFYMDHOT-GQCTYLIASA-N
MW182.22 g/mol
LogP1.80
Rot. Bonds3

About [(E)-3-(3,4-dihydro-2H-pyran-6-yl)prop-2-enyl] acetate

[(E)-3-(3,4-dihydro-2H-pyran-6-yl)prop-2-enyl] acetate (PubChem CID 20732855) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is [(E)-3-(3,4-dihydro-2H-pyran-6-yl)prop-2-enyl] acetate.

Molecular Properties

Compound Name[(E)-3-(3,4-dihydro-2H-pyran-6-yl)prop-2-enyl] acetate
PubChem CID20732855
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name[(E)-3-(3,4-dihydro-2H-pyran-6-yl)prop-2-enyl] acetate
SMILESCC(=O)OC/C=C/C1=CCCCO1
InChIInChI=1S/C10H14O3/c1-9(11)12-8-4-6-10-5-2-3-7-13-10/h4-6H,2-3,7-8H2,1H3/b6-4+
InChIKeyGDRQLMMFYMDHOT-GQCTYLIASA-N
XLogP1.80
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(E)-3-(3,4-dihydro-2H-pyran-6-yl)prop-2-enyl] acetate?
The IUPAC name of [(E)-3-(3,4-dihydro-2H-pyran-6-yl)prop-2-enyl] acetate (CID 20732855) is [(E)-3-(3,4-dihydro-2H-pyran-6-yl)prop-2-enyl] acetate.
What is the SMILES notation for [(E)-3-(3,4-dihydro-2H-pyran-6-yl)prop-2-enyl] acetate?
The canonical SMILES for [(E)-3-(3,4-dihydro-2H-pyran-6-yl)prop-2-enyl] acetate is CC(=O)OC/C=C/C1=CCCCO1.
What is the InChIKey of [(E)-3-(3,4-dihydro-2H-pyran-6-yl)prop-2-enyl] acetate?
The InChIKey is GDRQLMMFYMDHOT-GQCTYLIASA-N. The full InChI is InChI=1S/C10H14O3/c1-9(11)12-8-4-6-10-5-2-3-7-13-10/h4-6H,2-3,7-8H2,1H3/b6-4+.
What are the key properties of [(E)-3-(3,4-dihydro-2H-pyran-6-yl)prop-2-enyl] acetate?
[(E)-3-(3,4-dihydro-2H-pyran-6-yl)prop-2-enyl] acetate has a molecular weight of 182.22 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-(3,4-dihydro-2H-pyran-6-yl)prop-2-enyl] acetate is sourced from PubChem (CID 20732855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).