(2R)-2-[5-(furan-3-yl)pent-2-en-2-yl]-5-(4-methylpent-3-enyl)-2,3-dihydropyran-6-one

C20H26O3 — CID 162858673

IUPAC(2R)-2-[5-(furan-3-yl)pent-2-en-2-yl]-5-(4-methylpent-3-enyl)-2,3-dihydropyran-6-one
SMILESCC(C)=CCCC1=CC[C@H](C(C)=CCCc2ccoc2)OC1=O
InChIInChI=1S/C20H26O3/c1-15(2)6-4-9-18-10-11-19(23-20(18)21)16(3)7-5-8-17-12-13-22-14-17/h6-7,10,12-14,19H,4-5,8-9,11H2,1-3H3/t19-/m1/s1
InChIKeyHERRARRWFUSVSA-LJQANCHMSA-N
MW314.43 g/mol
LogP5.15
Rot. Bonds7

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

(2R)-2-[5-(furan-3-yl)pent-2-en-2-yl]-5-(4-methylpent-3-enyl)-2,3-dihydropyran-6-one (PubChem CID 162858673) has the molecular formula C20H26O3 and a molecular weight of 314.43 g/mol. Its IUPAC name is (2R)-2-[5-(furan-3-yl)pent-2-en-2-yl]-5-(4-methylpent-3-enyl)-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name(2R)-2-[5-(furan-3-yl)pent-2-en-2-yl]-5-(4-methylpent-3-enyl)-2,3-dihydropyran-6-one
PubChem CID162858673
Molecular FormulaC20H26O3
Molecular Weight314.43 g/mol
Exact Mass314.19
IUPAC Name(2R)-2-[5-(furan-3-yl)pent-2-en-2-yl]-5-(4-methylpent-3-enyl)-2,3-dihydropyran-6-one
SMILESCC(C)=CCCC1=CC[C@H](C(C)=CCCc2ccoc2)OC1=O
InChIInChI=1S/C20H26O3/c1-15(2)6-4-9-18-10-11-19(23-20(18)21)16(3)7-5-8-17-12-13-22-14-17/h6-7,10,12-14,19H,4-5,8-9,11H2,1-3H3/t19-/m1/s1
InChIKeyHERRARRWFUSVSA-LJQANCHMSA-N
XLogP5.15
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.43
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

3-[(3E)-4,8-dimethylnona-3,7-dienyl]furan
CID 5316534
(2R)-5-[(3S)-3-hydroperoxy-4-methylpent-4-enyl]-2-[(2E,6Z)-8-hydroxy-6-methylocta-2,6-dien-2-yl]-2,3-dihydropyran-6-one
CID 162905130
(2R)-2-[(2E,6Z)-8-hydroxy-6-methylocta-2,6-dien-2-yl]-5-[(3S)-3-hydroxy-4-methylpent-4-enyl]-2,3-dihydropyran-6-one
CID 162993922
3-[(3E,7E,11E)-8,12,16-trimethylheptadeca-3,7,11,15-tetraenyl]furan
CID 54588647
3-[(3E,7E,11E,15E,19E)-4,8,12,16,20-pentamethyltetracosa-3,7,11,15,19-pentaen-23-ynyl]furan
CID 89431367
3-[(3E,7E,11E,15E,19E)-4,8,12,16,20,22-hexamethyltricosa-3,7,11,15,19,21-hexaenyl]furan
CID 89431414
3-(4,8,12,16-tetramethylnonadeca-3,7,11,15-tetraen-18-ynyl)furan
CID 123470713
(2R)-4-(4,8-dimethylnona-3,7-dienyl)-2-hydroxy-2H-furan-5-one
CID 162932378
3-(4,8,12,16-tetramethylhenicosa-3,7,11,15,19-pentaenyl)furan
CID 123177359
(4R)-3-[6-(furan-3-yl)-3-methylhex-3-enyl]-2-methyl-4-propan-2-ylcyclopent-2-en-1-one
CID 162930245
(2R)-2-[(E,6S,7E)-6-hydroxy-7-[(5S)-5-hydroxy-3-methyl-2-oxocyclopent-3-en-1-ylidene]-6-methylhept-2-en-2-yl]-5-methyl-2,3-dihydropyran-6-one
CID 124866451
3-(4,8,12,16-tetramethylicosa-3,7,11,15,18-pentaenyl)furan
CID 123271436

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[5-(furan-3-yl)pent-2-en-2-yl]-5-(4-methylpent-3-enyl)-2,3-dihydropyran-6-one?
The IUPAC name of (2R)-2-[5-(furan-3-yl)pent-2-en-2-yl]-5-(4-methylpent-3-enyl)-2,3-dihydropyran-6-one (CID 162858673) is (2R)-2-[5-(furan-3-yl)pent-2-en-2-yl]-5-(4-methylpent-3-enyl)-2,3-dihydropyran-6-one.
What is the SMILES notation for (2R)-2-[5-(furan-3-yl)pent-2-en-2-yl]-5-(4-methylpent-3-enyl)-2,3-dihydropyran-6-one?
The canonical SMILES for (2R)-2-[5-(furan-3-yl)pent-2-en-2-yl]-5-(4-methylpent-3-enyl)-2,3-dihydropyran-6-one is CC(C)=CCCC1=CC[C@H](C(C)=CCCc2ccoc2)OC1=O.
What is the InChIKey of (2R)-2-[5-(furan-3-yl)pent-2-en-2-yl]-5-(4-methylpent-3-enyl)-2,3-dihydropyran-6-one?
The InChIKey is HERRARRWFUSVSA-LJQANCHMSA-N. The full InChI is InChI=1S/C20H26O3/c1-15(2)6-4-9-18-10-11-19(23-20(18)21)16(3)7-5-8-17-12-13-22-14-17/h6-7,10,12-14,19H,4-5,8-9,11H2,1-3H3/t19-/m1/s1.
What are the key properties of (2R)-2-[5-(furan-3-yl)pent-2-en-2-yl]-5-(4-methylpent-3-enyl)-2,3-dihydropyran-6-one?
(2R)-2-[5-(furan-3-yl)pent-2-en-2-yl]-5-(4-methylpent-3-enyl)-2,3-dihydropyran-6-one has a molecular weight of 314.43 g/mol, XLogP of 5.15, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[5-(furan-3-yl)pent-2-en-2-yl]-5-(4-methylpent-3-enyl)-2,3-dihydropyran-6-one is sourced from PubChem (CID 162858673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).