(5R)-5-[(1E,3E)-hexa-1,3-dienyl]-4-methoxy-5-methylfuran-2-one

C12H16O3 — CID 134859373

IUPAC(5R)-5-[(1E,3E)-hexa-1,3-dienyl]-4-methoxy-5-methylfuran-2-one
SMILESCC/C=C/C=C/[C@@]1(C)OC(=O)C=C1OC
InChIInChI=1S/C12H16O3/c1-4-5-6-7-8-12(2)10(14-3)9-11(13)15-12/h5-9H,4H2,1-3H3/b6-5+,8-7+/t12-/m1/s1
InChIKeyCFHGJMVPKPXQKC-SJFBBLFCSA-N
MW208.26 g/mol
LogP2.35
Rot. Bonds4

About (5R)-5-[(1E,3E)-hexa-1,3-dienyl]-4-methoxy-5-methylfuran-2-one

(5R)-5-[(1E,3E)-hexa-1,3-dienyl]-4-methoxy-5-methylfuran-2-one (PubChem CID 134859373) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is (5R)-5-[(1E,3E)-hexa-1,3-dienyl]-4-methoxy-5-methylfuran-2-one.

Molecular Properties

Compound Name(5R)-5-[(1E,3E)-hexa-1,3-dienyl]-4-methoxy-5-methylfuran-2-one
PubChem CID134859373
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name(5R)-5-[(1E,3E)-hexa-1,3-dienyl]-4-methoxy-5-methylfuran-2-one
SMILESCC/C=C/C=C/[C@@]1(C)OC(=O)C=C1OC
InChIInChI=1S/C12H16O3/c1-4-5-6-7-8-12(2)10(14-3)9-11(13)15-12/h5-9H,4H2,1-3H3/b6-5+,8-7+/t12-/m1/s1
InChIKeyCFHGJMVPKPXQKC-SJFBBLFCSA-N
XLogP2.35
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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CID 139587167
6-Hepta-1,3,5-trienyl-4-methoxy-5-methylpyran-2-one
CID 163054157
5-[(E)-but-1-enyl]-4-methoxy-6-methylpyran-2-one
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[(E)-4-(4-methoxy-2-methyl-6-oxopyran-3-yl)but-3-enyl] acetate
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2,6,6-Trimethyl-6h-pyran-3-carboxylic acid methyl ester
CID 11084510

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(1E,3E)-hexa-1,3-dienyl]-4-methoxy-5-methylfuran-2-one?
The IUPAC name of (5R)-5-[(1E,3E)-hexa-1,3-dienyl]-4-methoxy-5-methylfuran-2-one (CID 134859373) is (5R)-5-[(1E,3E)-hexa-1,3-dienyl]-4-methoxy-5-methylfuran-2-one.
What is the SMILES notation for (5R)-5-[(1E,3E)-hexa-1,3-dienyl]-4-methoxy-5-methylfuran-2-one?
The canonical SMILES for (5R)-5-[(1E,3E)-hexa-1,3-dienyl]-4-methoxy-5-methylfuran-2-one is CC/C=C/C=C/[C@@]1(C)OC(=O)C=C1OC.
What is the InChIKey of (5R)-5-[(1E,3E)-hexa-1,3-dienyl]-4-methoxy-5-methylfuran-2-one?
The InChIKey is CFHGJMVPKPXQKC-SJFBBLFCSA-N. The full InChI is InChI=1S/C12H16O3/c1-4-5-6-7-8-12(2)10(14-3)9-11(13)15-12/h5-9H,4H2,1-3H3/b6-5+,8-7+/t12-/m1/s1.
What are the key properties of (5R)-5-[(1E,3E)-hexa-1,3-dienyl]-4-methoxy-5-methylfuran-2-one?
(5R)-5-[(1E,3E)-hexa-1,3-dienyl]-4-methoxy-5-methylfuran-2-one has a molecular weight of 208.26 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(1E,3E)-hexa-1,3-dienyl]-4-methoxy-5-methylfuran-2-one is sourced from PubChem (CID 134859373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).