[(2S,3Z)-1-(furan-3-yl)-4,8-dimethylnona-3,7-dien-2-yl] acetate

C17H24O3 — CID 163190316

IUPAC[(2S,3Z)-1-(furan-3-yl)-4,8-dimethylnona-3,7-dien-2-yl] acetate
SMILESCC(=O)O[C@H](/C=C(/C)CCC=C(C)C)Cc1ccoc1
InChIInChI=1S/C17H24O3/c1-13(2)6-5-7-14(3)10-17(20-15(4)18)11-16-8-9-19-12-16/h6,8-10,12,17H,5,7,11H2,1-4H3/b14-10-/t17-/m1/s1
InChIKeyJWQMIWVWMJJQDR-OOXMNIKJSA-N
MW276.38 g/mol
LogP4.45
Rot. Bonds7

About [(2S,3Z)-1-(furan-3-yl)-4,8-dimethylnona-3,7-dien-2-yl] acetate

[(2S,3Z)-1-(furan-3-yl)-4,8-dimethylnona-3,7-dien-2-yl] acetate (PubChem CID 163190316) has the molecular formula C17H24O3 and a molecular weight of 276.38 g/mol. Its IUPAC name is [(2S,3Z)-1-(furan-3-yl)-4,8-dimethylnona-3,7-dien-2-yl] acetate.

Molecular Properties

Compound Name[(2S,3Z)-1-(furan-3-yl)-4,8-dimethylnona-3,7-dien-2-yl] acetate
PubChem CID163190316
Molecular FormulaC17H24O3
Molecular Weight276.38 g/mol
Exact Mass276.17
IUPAC Name[(2S,3Z)-1-(furan-3-yl)-4,8-dimethylnona-3,7-dien-2-yl] acetate
SMILESCC(=O)O[C@H](/C=C(/C)CCC=C(C)C)Cc1ccoc1
InChIInChI=1S/C17H24O3/c1-13(2)6-5-7-14(3)10-17(20-15(4)18)11-16-8-9-19-12-16/h6,8-10,12,17H,5,7,11H2,1-4H3/b14-10-/t17-/m1/s1
InChIKeyJWQMIWVWMJJQDR-OOXMNIKJSA-N
XLogP4.45
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.45
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 [(2S,3Z)-1-(furan-3-yl)-4,8-dimethylnona-3,7-dien-2-yl] acetate?
The IUPAC name of [(2S,3Z)-1-(furan-3-yl)-4,8-dimethylnona-3,7-dien-2-yl] acetate (CID 163190316) is [(2S,3Z)-1-(furan-3-yl)-4,8-dimethylnona-3,7-dien-2-yl] acetate.
What is the SMILES notation for [(2S,3Z)-1-(furan-3-yl)-4,8-dimethylnona-3,7-dien-2-yl] acetate?
The canonical SMILES for [(2S,3Z)-1-(furan-3-yl)-4,8-dimethylnona-3,7-dien-2-yl] acetate is CC(=O)O[C@H](/C=C(/C)CCC=C(C)C)Cc1ccoc1.
What is the InChIKey of [(2S,3Z)-1-(furan-3-yl)-4,8-dimethylnona-3,7-dien-2-yl] acetate?
The InChIKey is JWQMIWVWMJJQDR-OOXMNIKJSA-N. The full InChI is InChI=1S/C17H24O3/c1-13(2)6-5-7-14(3)10-17(20-15(4)18)11-16-8-9-19-12-16/h6,8-10,12,17H,5,7,11H2,1-4H3/b14-10-/t17-/m1/s1.
What are the key properties of [(2S,3Z)-1-(furan-3-yl)-4,8-dimethylnona-3,7-dien-2-yl] acetate?
[(2S,3Z)-1-(furan-3-yl)-4,8-dimethylnona-3,7-dien-2-yl] acetate has a molecular weight of 276.38 g/mol, XLogP of 4.45, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3Z)-1-(furan-3-yl)-4,8-dimethylnona-3,7-dien-2-yl] acetate is sourced from PubChem (CID 163190316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).