(2R)-2-[(E)-2-methyl-6-oxohept-2-enyl]-4-(4-methylpent-3-enyl)-2H-furan-5-one

C18H26O3 — CID 50993673

IUPAC(2R)-2-[(E)-2-methyl-6-oxohept-2-enyl]-4-(4-methylpent-3-enyl)-2H-furan-5-one
SMILESCC(=O)CC/C=C(\C)C[C@@H]1C=C(CCC=C(C)C)C(=O)O1
InChIInChI=1S/C18H26O3/c1-13(2)7-5-10-16-12-17(21-18(16)20)11-14(3)8-6-9-15(4)19/h7-8,12,17H,5-6,9-11H2,1-4H3/b14-8+/t17-/m1/s1
InChIKeyHPYAKDUQYJHSJJ-LEHPZIBWSA-N
MW290.40 g/mol
LogP4.29
Rot. Bonds8

About (2R)-2-[(E)-2-methyl-6-oxohept-2-enyl]-4-(4-methylpent-3-enyl)-2H-furan-5-one

(2R)-2-[(E)-2-methyl-6-oxohept-2-enyl]-4-(4-methylpent-3-enyl)-2H-furan-5-one (PubChem CID 50993673) has the molecular formula C18H26O3 and a molecular weight of 290.40 g/mol. Its IUPAC name is (2R)-2-[(E)-2-methyl-6-oxohept-2-enyl]-4-(4-methylpent-3-enyl)-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-2-[(E)-2-methyl-6-oxohept-2-enyl]-4-(4-methylpent-3-enyl)-2H-furan-5-one
PubChem CID50993673
Molecular FormulaC18H26O3
Molecular Weight290.40 g/mol
Exact Mass290.19
IUPAC Name(2R)-2-[(E)-2-methyl-6-oxohept-2-enyl]-4-(4-methylpent-3-enyl)-2H-furan-5-one
SMILESCC(=O)CC/C=C(\C)C[C@@H]1C=C(CCC=C(C)C)C(=O)O1
InChIInChI=1S/C18H26O3/c1-13(2)7-5-10-16-12-17(21-18(16)20)11-14(3)8-6-9-15(4)19/h7-8,12,17H,5-6,9-11H2,1-4H3/b14-8+/t17-/m1/s1
InChIKeyHPYAKDUQYJHSJJ-LEHPZIBWSA-N
XLogP4.29
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(E)-2-methyl-6-oxohept-2-enyl]-4-(4-methylpent-3-enyl)-2H-furan-5-one?
The IUPAC name of (2R)-2-[(E)-2-methyl-6-oxohept-2-enyl]-4-(4-methylpent-3-enyl)-2H-furan-5-one (CID 50993673) is (2R)-2-[(E)-2-methyl-6-oxohept-2-enyl]-4-(4-methylpent-3-enyl)-2H-furan-5-one.
What is the SMILES notation for (2R)-2-[(E)-2-methyl-6-oxohept-2-enyl]-4-(4-methylpent-3-enyl)-2H-furan-5-one?
The canonical SMILES for (2R)-2-[(E)-2-methyl-6-oxohept-2-enyl]-4-(4-methylpent-3-enyl)-2H-furan-5-one is CC(=O)CC/C=C(\C)C[C@@H]1C=C(CCC=C(C)C)C(=O)O1.
What is the InChIKey of (2R)-2-[(E)-2-methyl-6-oxohept-2-enyl]-4-(4-methylpent-3-enyl)-2H-furan-5-one?
The InChIKey is HPYAKDUQYJHSJJ-LEHPZIBWSA-N. The full InChI is InChI=1S/C18H26O3/c1-13(2)7-5-10-16-12-17(21-18(16)20)11-14(3)8-6-9-15(4)19/h7-8,12,17H,5-6,9-11H2,1-4H3/b14-8+/t17-/m1/s1.
What are the key properties of (2R)-2-[(E)-2-methyl-6-oxohept-2-enyl]-4-(4-methylpent-3-enyl)-2H-furan-5-one?
(2R)-2-[(E)-2-methyl-6-oxohept-2-enyl]-4-(4-methylpent-3-enyl)-2H-furan-5-one has a molecular weight of 290.40 g/mol, XLogP of 4.29, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(E)-2-methyl-6-oxohept-2-enyl]-4-(4-methylpent-3-enyl)-2H-furan-5-one is sourced from PubChem (CID 50993673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).