(2R)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-naphthalen-2-yl-2H-furan-5-one

C25H28O2 — CID 122662630

IUPAC(2R)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-naphthalen-2-yl-2H-furan-5-one
SMILESCC(C)=CCC/C(C)=C/CCC1=C[C@H](c2ccc3ccccc3c2)OC1=O
InChIInChI=1S/C25H28O2/c1-18(2)8-6-9-19(3)10-7-13-23-17-24(27-25(23)26)22-15-14-20-11-4-5-12-21(20)16-22/h4-5,8,10-12,14-17,24H,6-7,9,13H2,1-3H3/b19-10+/t24-/m1/s1
InChIKeyDUZWGQUZHWKOGZ-PEHFAQBGSA-N
MW360.50 g/mol
LogP6.84
Rot. Bonds7

About (2R)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-naphthalen-2-yl-2H-furan-5-one

(2R)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-naphthalen-2-yl-2H-furan-5-one (PubChem CID 122662630) has the molecular formula C25H28O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is (2R)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-naphthalen-2-yl-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-naphthalen-2-yl-2H-furan-5-one
PubChem CID122662630
Molecular FormulaC25H28O2
Molecular Weight360.50 g/mol
Exact Mass360.21
IUPAC Name(2R)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-naphthalen-2-yl-2H-furan-5-one
SMILESCC(C)=CCC/C(C)=C/CCC1=C[C@H](c2ccc3ccccc3c2)OC1=O
InChIInChI=1S/C25H28O2/c1-18(2)8-6-9-19(3)10-7-13-23-17-24(27-25(23)26)22-15-14-20-11-4-5-12-21(20)16-22/h4-5,8,10-12,14-17,24H,6-7,9,13H2,1-3H3/b19-10+/t24-/m1/s1
InChIKeyDUZWGQUZHWKOGZ-PEHFAQBGSA-N
XLogP6.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.50
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-naphthalen-2-yl-2H-furan-5-one?
The IUPAC name of (2R)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-naphthalen-2-yl-2H-furan-5-one (CID 122662630) is (2R)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-naphthalen-2-yl-2H-furan-5-one.
What is the SMILES notation for (2R)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-naphthalen-2-yl-2H-furan-5-one?
The canonical SMILES for (2R)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-naphthalen-2-yl-2H-furan-5-one is CC(C)=CCC/C(C)=C/CCC1=C[C@H](c2ccc3ccccc3c2)OC1=O.
What is the InChIKey of (2R)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-naphthalen-2-yl-2H-furan-5-one?
The InChIKey is DUZWGQUZHWKOGZ-PEHFAQBGSA-N. The full InChI is InChI=1S/C25H28O2/c1-18(2)8-6-9-19(3)10-7-13-23-17-24(27-25(23)26)22-15-14-20-11-4-5-12-21(20)16-22/h4-5,8,10-12,14-17,24H,6-7,9,13H2,1-3H3/b19-10+/t24-/m1/s1.
What are the key properties of (2R)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-naphthalen-2-yl-2H-furan-5-one?
(2R)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-naphthalen-2-yl-2H-furan-5-one has a molecular weight of 360.50 g/mol, XLogP of 6.84, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-naphthalen-2-yl-2H-furan-5-one is sourced from PubChem (CID 122662630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).