(2R)-4-(4,8-dimethylnona-3,7-dienyl)-2-hydroxy-2H-furan-5-one

C15H22O3 — CID 162932378

IUPAC(2R)-4-(4,8-dimethylnona-3,7-dienyl)-2-hydroxy-2H-furan-5-one
SMILESCC(C)=CCCC(C)=CCCC1=C[C@H](O)OC1=O
InChIInChI=1S/C15H22O3/c1-11(2)6-4-7-12(3)8-5-9-13-10-14(16)18-15(13)17/h6,8,10,14,16H,4-5,7,9H2,1-3H3/t14-/m1/s1
InChIKeyQYDWXTCUPFPZKZ-CQSZACIVSA-N
MW250.34 g/mol
LogP3.26
Rot. Bonds6

About (2R)-4-(4,8-dimethylnona-3,7-dienyl)-2-hydroxy-2H-furan-5-one

(2R)-4-(4,8-dimethylnona-3,7-dienyl)-2-hydroxy-2H-furan-5-one (PubChem CID 162932378) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is (2R)-4-(4,8-dimethylnona-3,7-dienyl)-2-hydroxy-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-4-(4,8-dimethylnona-3,7-dienyl)-2-hydroxy-2H-furan-5-one
PubChem CID162932378
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name(2R)-4-(4,8-dimethylnona-3,7-dienyl)-2-hydroxy-2H-furan-5-one
SMILESCC(C)=CCCC(C)=CCCC1=C[C@H](O)OC1=O
InChIInChI=1S/C15H22O3/c1-11(2)6-4-7-12(3)8-5-9-13-10-14(16)18-15(13)17/h6,8,10,14,16H,4-5,7,9H2,1-3H3/t14-/m1/s1
InChIKeyQYDWXTCUPFPZKZ-CQSZACIVSA-N
XLogP3.26
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R,6E,10E)-13-(2-hydroxy-5-oxo-2H-furan-4-yl)-2,6,10-trimethyltrideca-6,10-dienoic acid
CID 163107949
(2R)-2-[2,5-bis(hydroxymethyl)phenyl]-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2H-furan-5-one
CID 130314279
(2S)-2-[2,5-bis(hydroxymethyl)phenyl]-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2H-furan-5-one
CID 130314282
2-(4,8,12,16,20-pentamethylhenicosa-3,7,11,15,19-pentaenyl)thiophene
CID 123540837
(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 173158415
(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 24871318
(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 131954652
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782
(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene;phosphoric acid
CID 174586289
carbon dioxide;(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 174737986
2-[(3E)-4,8-dimethylnona-3,7-dienyl]anthracene-9,10-dione
CID 155816692
3-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-2,5-dihydrothiophene 1,1-dioxide
CID 164597144

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(4,8-dimethylnona-3,7-dienyl)-2-hydroxy-2H-furan-5-one?
The IUPAC name of (2R)-4-(4,8-dimethylnona-3,7-dienyl)-2-hydroxy-2H-furan-5-one (CID 162932378) is (2R)-4-(4,8-dimethylnona-3,7-dienyl)-2-hydroxy-2H-furan-5-one.
What is the SMILES notation for (2R)-4-(4,8-dimethylnona-3,7-dienyl)-2-hydroxy-2H-furan-5-one?
The canonical SMILES for (2R)-4-(4,8-dimethylnona-3,7-dienyl)-2-hydroxy-2H-furan-5-one is CC(C)=CCCC(C)=CCCC1=C[C@H](O)OC1=O.
What is the InChIKey of (2R)-4-(4,8-dimethylnona-3,7-dienyl)-2-hydroxy-2H-furan-5-one?
The InChIKey is QYDWXTCUPFPZKZ-CQSZACIVSA-N. The full InChI is InChI=1S/C15H22O3/c1-11(2)6-4-7-12(3)8-5-9-13-10-14(16)18-15(13)17/h6,8,10,14,16H,4-5,7,9H2,1-3H3/t14-/m1/s1.
What are the key properties of (2R)-4-(4,8-dimethylnona-3,7-dienyl)-2-hydroxy-2H-furan-5-one?
(2R)-4-(4,8-dimethylnona-3,7-dienyl)-2-hydroxy-2H-furan-5-one has a molecular weight of 250.34 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(4,8-dimethylnona-3,7-dienyl)-2-hydroxy-2H-furan-5-one is sourced from PubChem (CID 162932378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).