6-(4-hydroxyhex-2-en-2-yl)-4-methoxy-3-methylpyran-2-one

C13H18O4 — CID 162949481

IUPAC6-(4-hydroxyhex-2-en-2-yl)-4-methoxy-3-methylpyran-2-one
SMILESCCC(O)C=C(C)c1cc(OC)c(C)c(=O)o1
InChIInChI=1S/C13H18O4/c1-5-10(14)6-8(2)11-7-12(16-4)9(3)13(15)17-11/h6-7,10,14H,5H2,1-4H3
InChIKeyMPDDBIZPSZZTPG-UHFFFAOYSA-N
MW238.28 g/mol
LogP2.13
Rot. Bonds4

About 6-(4-hydroxyhex-2-en-2-yl)-4-methoxy-3-methylpyran-2-one

6-(4-hydroxyhex-2-en-2-yl)-4-methoxy-3-methylpyran-2-one (PubChem CID 162949481) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is 6-(4-hydroxyhex-2-en-2-yl)-4-methoxy-3-methylpyran-2-one.

Molecular Properties

Compound Name6-(4-hydroxyhex-2-en-2-yl)-4-methoxy-3-methylpyran-2-one
PubChem CID162949481
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Name6-(4-hydroxyhex-2-en-2-yl)-4-methoxy-3-methylpyran-2-one
SMILESCCC(O)C=C(C)c1cc(OC)c(C)c(=O)o1
InChIInChI=1S/C13H18O4/c1-5-10(14)6-8(2)11-7-12(16-4)9(3)13(15)17-11/h6-7,10,14H,5H2,1-4H3
InChIKeyMPDDBIZPSZZTPG-UHFFFAOYSA-N
XLogP2.13
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-hydroxyhex-2-en-2-yl)-4-methoxy-3-methylpyran-2-one?
The IUPAC name of 6-(4-hydroxyhex-2-en-2-yl)-4-methoxy-3-methylpyran-2-one (CID 162949481) is 6-(4-hydroxyhex-2-en-2-yl)-4-methoxy-3-methylpyran-2-one.
What is the SMILES notation for 6-(4-hydroxyhex-2-en-2-yl)-4-methoxy-3-methylpyran-2-one?
The canonical SMILES for 6-(4-hydroxyhex-2-en-2-yl)-4-methoxy-3-methylpyran-2-one is CCC(O)C=C(C)c1cc(OC)c(C)c(=O)o1.
What is the InChIKey of 6-(4-hydroxyhex-2-en-2-yl)-4-methoxy-3-methylpyran-2-one?
The InChIKey is MPDDBIZPSZZTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O4/c1-5-10(14)6-8(2)11-7-12(16-4)9(3)13(15)17-11/h6-7,10,14H,5H2,1-4H3.
What are the key properties of 6-(4-hydroxyhex-2-en-2-yl)-4-methoxy-3-methylpyran-2-one?
6-(4-hydroxyhex-2-en-2-yl)-4-methoxy-3-methylpyran-2-one has a molecular weight of 238.28 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-hydroxyhex-2-en-2-yl)-4-methoxy-3-methylpyran-2-one is sourced from PubChem (CID 162949481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).