2-[(3E)-4,8-dimethylnona-3,7-dienyl]-4-methyl-1,3-dioxolane

C15H26O2 — CID 11971160

IUPAC2-[(3E)-4,8-dimethylnona-3,7-dienyl]-4-methyl-1,3-dioxolane
SMILESCC(C)=CCC/C(C)=C/CCC1OCC(C)O1
InChIInChI=1S/C15H26O2/c1-12(2)7-5-8-13(3)9-6-10-15-16-11-14(4)17-15/h7,9,14-15H,5-6,8,10-11H2,1-4H3/b13-9+
InChIKeyHFTWTTJHFSWSIZ-UKTHLTGXSA-N
MW238.37 g/mol
LogP4.22
Rot. Bonds6

About 2-[(3E)-4,8-dimethylnona-3,7-dienyl]-4-methyl-1,3-dioxolane

2-[(3E)-4,8-dimethylnona-3,7-dienyl]-4-methyl-1,3-dioxolane (PubChem CID 11971160) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 2-[(3E)-4,8-dimethylnona-3,7-dienyl]-4-methyl-1,3-dioxolane.

Molecular Properties

Compound Name2-[(3E)-4,8-dimethylnona-3,7-dienyl]-4-methyl-1,3-dioxolane
PubChem CID11971160
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name2-[(3E)-4,8-dimethylnona-3,7-dienyl]-4-methyl-1,3-dioxolane
SMILESCC(C)=CCC/C(C)=C/CCC1OCC(C)O1
InChIInChI=1S/C15H26O2/c1-12(2)7-5-8-13(3)9-6-10-15-16-11-14(4)17-15/h7,9,14-15H,5-6,8,10-11H2,1-4H3/b13-9+
InChIKeyHFTWTTJHFSWSIZ-UKTHLTGXSA-N
XLogP4.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.22
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-[(3E)-4,8-dimethylnona-3,7-dienyl]-4-methyl-1,3-dioxolane?
The IUPAC name of 2-[(3E)-4,8-dimethylnona-3,7-dienyl]-4-methyl-1,3-dioxolane (CID 11971160) is 2-[(3E)-4,8-dimethylnona-3,7-dienyl]-4-methyl-1,3-dioxolane.
What is the SMILES notation for 2-[(3E)-4,8-dimethylnona-3,7-dienyl]-4-methyl-1,3-dioxolane?
The canonical SMILES for 2-[(3E)-4,8-dimethylnona-3,7-dienyl]-4-methyl-1,3-dioxolane is CC(C)=CCC/C(C)=C/CCC1OCC(C)O1.
What is the InChIKey of 2-[(3E)-4,8-dimethylnona-3,7-dienyl]-4-methyl-1,3-dioxolane?
The InChIKey is HFTWTTJHFSWSIZ-UKTHLTGXSA-N. The full InChI is InChI=1S/C15H26O2/c1-12(2)7-5-8-13(3)9-6-10-15-16-11-14(4)17-15/h7,9,14-15H,5-6,8,10-11H2,1-4H3/b13-9+.
What are the key properties of 2-[(3E)-4,8-dimethylnona-3,7-dienyl]-4-methyl-1,3-dioxolane?
2-[(3E)-4,8-dimethylnona-3,7-dienyl]-4-methyl-1,3-dioxolane has a molecular weight of 238.37 g/mol, XLogP of 4.22, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3E)-4,8-dimethylnona-3,7-dienyl]-4-methyl-1,3-dioxolane is sourced from PubChem (CID 11971160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).