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

C15H28O2 — CID 90239154

IUPAC2-[(E)-4,8-dimethylnon-3-enyl]-2-methyl-1,3-dioxolane
SMILESC/C(=C\CCC1(C)OCCO1)CCCC(C)C
InChIInChI=1S/C15H28O2/c1-13(2)7-5-8-14(3)9-6-10-15(4)16-11-12-17-15/h9,13H,5-8,10-12H2,1-4H3/b14-9+
InChIKeyRMZFBVITHXNIPQ-NTEUORMPSA-N
MW240.39 g/mol
LogP4.30
Rot. Bonds7

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

2-[(E)-4,8-dimethylnon-3-enyl]-2-methyl-1,3-dioxolane (PubChem CID 90239154) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-[(E)-4,8-dimethylnon-3-enyl]-2-methyl-1,3-dioxolane.

Molecular Properties

Compound Name2-[(E)-4,8-dimethylnon-3-enyl]-2-methyl-1,3-dioxolane
PubChem CID90239154
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name2-[(E)-4,8-dimethylnon-3-enyl]-2-methyl-1,3-dioxolane
SMILESC/C(=C\CCC1(C)OCCO1)CCCC(C)C
InChIInChI=1S/C15H28O2/c1-13(2)7-5-8-14(3)9-6-10-15(4)16-11-12-17-15/h9,13H,5-8,10-12H2,1-4H3/b14-9+
InChIKeyRMZFBVITHXNIPQ-NTEUORMPSA-N
XLogP4.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.30
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-[(E)-4,8-dimethylnon-3-enyl]-2-methyl-1,3-dioxolane?
The IUPAC name of 2-[(E)-4,8-dimethylnon-3-enyl]-2-methyl-1,3-dioxolane (CID 90239154) is 2-[(E)-4,8-dimethylnon-3-enyl]-2-methyl-1,3-dioxolane.
What is the SMILES notation for 2-[(E)-4,8-dimethylnon-3-enyl]-2-methyl-1,3-dioxolane?
The canonical SMILES for 2-[(E)-4,8-dimethylnon-3-enyl]-2-methyl-1,3-dioxolane is C/C(=C\CCC1(C)OCCO1)CCCC(C)C.
What is the InChIKey of 2-[(E)-4,8-dimethylnon-3-enyl]-2-methyl-1,3-dioxolane?
The InChIKey is RMZFBVITHXNIPQ-NTEUORMPSA-N. The full InChI is InChI=1S/C15H28O2/c1-13(2)7-5-8-14(3)9-6-10-15(4)16-11-12-17-15/h9,13H,5-8,10-12H2,1-4H3/b14-9+.
What are the key properties of 2-[(E)-4,8-dimethylnon-3-enyl]-2-methyl-1,3-dioxolane?
2-[(E)-4,8-dimethylnon-3-enyl]-2-methyl-1,3-dioxolane has a molecular weight of 240.39 g/mol, XLogP of 4.30, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-4,8-dimethylnon-3-enyl]-2-methyl-1,3-dioxolane is sourced from PubChem (CID 90239154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).