2-[(3Z)-4,8-dimethylnona-3,7-dienyl]-2,5,5-trimethyl-1,3-dioxane

C18H32O2 — CID 90238731

IUPAC2-[(3Z)-4,8-dimethylnona-3,7-dienyl]-2,5,5-trimethyl-1,3-dioxane
SMILESCC(C)=CCC/C(C)=C\CCC1(C)OCC(C)(C)CO1
InChIInChI=1S/C18H32O2/c1-15(2)9-7-10-16(3)11-8-12-18(6)19-13-17(4,5)14-20-18/h9,11H,7-8,10,12-14H2,1-6H3/b16-11-
InChIKeyXJUXWWIQZMRNLI-WJDWOHSUSA-N
MW280.45 g/mol
LogP5.25
Rot. Bonds6

About 2-[(3Z)-4,8-dimethylnona-3,7-dienyl]-2,5,5-trimethyl-1,3-dioxane

2-[(3Z)-4,8-dimethylnona-3,7-dienyl]-2,5,5-trimethyl-1,3-dioxane (PubChem CID 90238731) has the molecular formula C18H32O2 and a molecular weight of 280.45 g/mol. Its IUPAC name is 2-[(3Z)-4,8-dimethylnona-3,7-dienyl]-2,5,5-trimethyl-1,3-dioxane.

Molecular Properties

Compound Name2-[(3Z)-4,8-dimethylnona-3,7-dienyl]-2,5,5-trimethyl-1,3-dioxane
PubChem CID90238731
Molecular FormulaC18H32O2
Molecular Weight280.45 g/mol
Exact Mass280.24
IUPAC Name2-[(3Z)-4,8-dimethylnona-3,7-dienyl]-2,5,5-trimethyl-1,3-dioxane
SMILESCC(C)=CCC/C(C)=C\CCC1(C)OCC(C)(C)CO1
InChIInChI=1S/C18H32O2/c1-15(2)9-7-10-16(3)11-8-12-18(6)19-13-17(4,5)14-20-18/h9,11H,7-8,10,12-14H2,1-6H3/b16-11-
InChIKeyXJUXWWIQZMRNLI-WJDWOHSUSA-N
XLogP5.25
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.45
LogP ≤ 55.25
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 2-[(3Z)-4,8-dimethylnona-3,7-dienyl]-2,5,5-trimethyl-1,3-dioxane?
The IUPAC name of 2-[(3Z)-4,8-dimethylnona-3,7-dienyl]-2,5,5-trimethyl-1,3-dioxane (CID 90238731) is 2-[(3Z)-4,8-dimethylnona-3,7-dienyl]-2,5,5-trimethyl-1,3-dioxane.
What is the SMILES notation for 2-[(3Z)-4,8-dimethylnona-3,7-dienyl]-2,5,5-trimethyl-1,3-dioxane?
The canonical SMILES for 2-[(3Z)-4,8-dimethylnona-3,7-dienyl]-2,5,5-trimethyl-1,3-dioxane is CC(C)=CCC/C(C)=C\CCC1(C)OCC(C)(C)CO1.
What is the InChIKey of 2-[(3Z)-4,8-dimethylnona-3,7-dienyl]-2,5,5-trimethyl-1,3-dioxane?
The InChIKey is XJUXWWIQZMRNLI-WJDWOHSUSA-N. The full InChI is InChI=1S/C18H32O2/c1-15(2)9-7-10-16(3)11-8-12-18(6)19-13-17(4,5)14-20-18/h9,11H,7-8,10,12-14H2,1-6H3/b16-11-.
What are the key properties of 2-[(3Z)-4,8-dimethylnona-3,7-dienyl]-2,5,5-trimethyl-1,3-dioxane?
2-[(3Z)-4,8-dimethylnona-3,7-dienyl]-2,5,5-trimethyl-1,3-dioxane has a molecular weight of 280.45 g/mol, XLogP of 5.25, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3Z)-4,8-dimethylnona-3,7-dienyl]-2,5,5-trimethyl-1,3-dioxane is sourced from PubChem (CID 90238731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).