2-[(E)-8-methoxy-4,8-dimethylnon-3-enyl]-2-methyl-1,3-dioxolane

C16H30O3 — CID 70638284

IUPAC2-[(E)-8-methoxy-4,8-dimethylnon-3-enyl]-2-methyl-1,3-dioxolane
SMILESCOC(C)(C)CCC/C(C)=C/CCC1(C)OCCO1
InChIInChI=1S/C16H30O3/c1-14(8-6-10-15(2,3)17-5)9-7-11-16(4)18-12-13-19-16/h9H,6-8,10-13H2,1-5H3/b14-9+
InChIKeyOOIHSLXLXWTTKE-NTEUORMPSA-N
MW270.41 g/mol
LogP4.07
Rot. Bonds8

About 2-[(E)-8-methoxy-4,8-dimethylnon-3-enyl]-2-methyl-1,3-dioxolane

2-[(E)-8-methoxy-4,8-dimethylnon-3-enyl]-2-methyl-1,3-dioxolane (PubChem CID 70638284) has the molecular formula C16H30O3 and a molecular weight of 270.41 g/mol. Its IUPAC name is 2-[(E)-8-methoxy-4,8-dimethylnon-3-enyl]-2-methyl-1,3-dioxolane.

Molecular Properties

Compound Name2-[(E)-8-methoxy-4,8-dimethylnon-3-enyl]-2-methyl-1,3-dioxolane
PubChem CID70638284
Molecular FormulaC16H30O3
Molecular Weight270.41 g/mol
Exact Mass270.22
IUPAC Name2-[(E)-8-methoxy-4,8-dimethylnon-3-enyl]-2-methyl-1,3-dioxolane
SMILESCOC(C)(C)CCC/C(C)=C/CCC1(C)OCCO1
InChIInChI=1S/C16H30O3/c1-14(8-6-10-15(2,3)17-5)9-7-11-16(4)18-12-13-19-16/h9H,6-8,10-13H2,1-5H3/b14-9+
InChIKeyOOIHSLXLXWTTKE-NTEUORMPSA-N
XLogP4.07
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.41
LogP ≤ 54.07
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 2-[(E)-8-methoxy-4,8-dimethylnon-3-enyl]-2-methyl-1,3-dioxolane?
The IUPAC name of 2-[(E)-8-methoxy-4,8-dimethylnon-3-enyl]-2-methyl-1,3-dioxolane (CID 70638284) is 2-[(E)-8-methoxy-4,8-dimethylnon-3-enyl]-2-methyl-1,3-dioxolane.
What is the SMILES notation for 2-[(E)-8-methoxy-4,8-dimethylnon-3-enyl]-2-methyl-1,3-dioxolane?
The canonical SMILES for 2-[(E)-8-methoxy-4,8-dimethylnon-3-enyl]-2-methyl-1,3-dioxolane is COC(C)(C)CCC/C(C)=C/CCC1(C)OCCO1.
What is the InChIKey of 2-[(E)-8-methoxy-4,8-dimethylnon-3-enyl]-2-methyl-1,3-dioxolane?
The InChIKey is OOIHSLXLXWTTKE-NTEUORMPSA-N. The full InChI is InChI=1S/C16H30O3/c1-14(8-6-10-15(2,3)17-5)9-7-11-16(4)18-12-13-19-16/h9H,6-8,10-13H2,1-5H3/b14-9+.
What are the key properties of 2-[(E)-8-methoxy-4,8-dimethylnon-3-enyl]-2-methyl-1,3-dioxolane?
2-[(E)-8-methoxy-4,8-dimethylnon-3-enyl]-2-methyl-1,3-dioxolane has a molecular weight of 270.41 g/mol, XLogP of 4.07, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-8-methoxy-4,8-dimethylnon-3-enyl]-2-methyl-1,3-dioxolane is sourced from PubChem (CID 70638284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).