(2S)-5-(4-methylpent-3-enyl)-2-[(E)-5-(5-oxo-2H-furan-4-yl)pent-2-en-2-yl]-2,3-dihydropyran-6-one

C20H26O4 — CID 162843439

IUPAC(2S)-5-(4-methylpent-3-enyl)-2-[(E)-5-(5-oxo-2H-furan-4-yl)pent-2-en-2-yl]-2,3-dihydropyran-6-one
SMILESCC(C)=CCCC1=CC[C@@H](/C(C)=C/CCC2=CCOC2=O)OC1=O
InChIInChI=1S/C20H26O4/c1-14(2)6-4-8-16-10-11-18(24-20(16)22)15(3)7-5-9-17-12-13-23-19(17)21/h6-7,10,12,18H,4-5,8-9,11,13H2,1-3H3/b15-7+/t18-/m0/s1
InChIKeyPRLXHEUKWIVTBJ-APSGNOSNSA-N
MW330.42 g/mol
LogP4.18
Rot. Bonds7

About (2S)-5-(4-methylpent-3-enyl)-2-[(E)-5-(5-oxo-2H-furan-4-yl)pent-2-en-2-yl]-2,3-dihydropyran-6-one

(2S)-5-(4-methylpent-3-enyl)-2-[(E)-5-(5-oxo-2H-furan-4-yl)pent-2-en-2-yl]-2,3-dihydropyran-6-one (PubChem CID 162843439) has the molecular formula C20H26O4 and a molecular weight of 330.42 g/mol. Its IUPAC name is (2S)-5-(4-methylpent-3-enyl)-2-[(E)-5-(5-oxo-2H-furan-4-yl)pent-2-en-2-yl]-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name(2S)-5-(4-methylpent-3-enyl)-2-[(E)-5-(5-oxo-2H-furan-4-yl)pent-2-en-2-yl]-2,3-dihydropyran-6-one
PubChem CID162843439
Molecular FormulaC20H26O4
Molecular Weight330.42 g/mol
Exact Mass330.18
IUPAC Name(2S)-5-(4-methylpent-3-enyl)-2-[(E)-5-(5-oxo-2H-furan-4-yl)pent-2-en-2-yl]-2,3-dihydropyran-6-one
SMILESCC(C)=CCCC1=CC[C@@H](/C(C)=C/CCC2=CCOC2=O)OC1=O
InChIInChI=1S/C20H26O4/c1-14(2)6-4-8-16-10-11-18(24-20(16)22)15(3)7-5-9-17-12-13-23-19(17)21/h6-7,10,12,18H,4-5,8-9,11,13H2,1-3H3/b15-7+/t18-/m0/s1
InChIKeyPRLXHEUKWIVTBJ-APSGNOSNSA-N
XLogP4.18
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.42
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 44179724
Asteriscunolide A
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(4E,7E,10S)-5,9,9-Trimethyl-11-oxabicyclo[8.2.1]trideca-1(13),4,7-triene-6,12-dione
CID 13919627
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CID 71665738
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Manshurolide
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(E,6E)-2-(4-methylpent-3-enyl)-6-[3-(5-oxo-2H-furan-4-yl)propylidene]hept-2-enedioic acid
CID 24799148

Frequently Asked Questions

What is the IUPAC name of (2S)-5-(4-methylpent-3-enyl)-2-[(E)-5-(5-oxo-2H-furan-4-yl)pent-2-en-2-yl]-2,3-dihydropyran-6-one?
The IUPAC name of (2S)-5-(4-methylpent-3-enyl)-2-[(E)-5-(5-oxo-2H-furan-4-yl)pent-2-en-2-yl]-2,3-dihydropyran-6-one (CID 162843439) is (2S)-5-(4-methylpent-3-enyl)-2-[(E)-5-(5-oxo-2H-furan-4-yl)pent-2-en-2-yl]-2,3-dihydropyran-6-one.
What is the SMILES notation for (2S)-5-(4-methylpent-3-enyl)-2-[(E)-5-(5-oxo-2H-furan-4-yl)pent-2-en-2-yl]-2,3-dihydropyran-6-one?
The canonical SMILES for (2S)-5-(4-methylpent-3-enyl)-2-[(E)-5-(5-oxo-2H-furan-4-yl)pent-2-en-2-yl]-2,3-dihydropyran-6-one is CC(C)=CCCC1=CC[C@@H](/C(C)=C/CCC2=CCOC2=O)OC1=O.
What is the InChIKey of (2S)-5-(4-methylpent-3-enyl)-2-[(E)-5-(5-oxo-2H-furan-4-yl)pent-2-en-2-yl]-2,3-dihydropyran-6-one?
The InChIKey is PRLXHEUKWIVTBJ-APSGNOSNSA-N. The full InChI is InChI=1S/C20H26O4/c1-14(2)6-4-8-16-10-11-18(24-20(16)22)15(3)7-5-9-17-12-13-23-19(17)21/h6-7,10,12,18H,4-5,8-9,11,13H2,1-3H3/b15-7+/t18-/m0/s1.
What are the key properties of (2S)-5-(4-methylpent-3-enyl)-2-[(E)-5-(5-oxo-2H-furan-4-yl)pent-2-en-2-yl]-2,3-dihydropyran-6-one?
(2S)-5-(4-methylpent-3-enyl)-2-[(E)-5-(5-oxo-2H-furan-4-yl)pent-2-en-2-yl]-2,3-dihydropyran-6-one has a molecular weight of 330.42 g/mol, XLogP of 4.18, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-(4-methylpent-3-enyl)-2-[(E)-5-(5-oxo-2H-furan-4-yl)pent-2-en-2-yl]-2,3-dihydropyran-6-one is sourced from PubChem (CID 162843439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).