2-(4,8-dimethylnona-1,3,7-trienyl)-2-methyl-1,3-dioxolane

C15H24O2 — CID 144649740

IUPAC2-(4,8-dimethylnona-1,3,7-trienyl)-2-methyl-1,3-dioxolane
SMILESCC(C)=CCCC(C)=CC=CC1(C)OCCO1
InChIInChI=1S/C15H24O2/c1-13(2)7-5-8-14(3)9-6-10-15(4)16-11-12-17-15/h6-7,9-10H,5,8,11-12H2,1-4H3
InChIKeyYZCZYIOLVQOOHU-UHFFFAOYSA-N
MW236.35 g/mol
LogP4.00
Rot. Bonds5

About 2-(4,8-dimethylnona-1,3,7-trienyl)-2-methyl-1,3-dioxolane

2-(4,8-dimethylnona-1,3,7-trienyl)-2-methyl-1,3-dioxolane (PubChem CID 144649740) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 2-(4,8-dimethylnona-1,3,7-trienyl)-2-methyl-1,3-dioxolane.

Molecular Properties

Compound Name2-(4,8-dimethylnona-1,3,7-trienyl)-2-methyl-1,3-dioxolane
PubChem CID144649740
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name2-(4,8-dimethylnona-1,3,7-trienyl)-2-methyl-1,3-dioxolane
SMILESCC(C)=CCCC(C)=CC=CC1(C)OCCO1
InChIInChI=1S/C15H24O2/c1-13(2)7-5-8-14(3)9-6-10-15(4)16-11-12-17-15/h6-7,9-10H,5,8,11-12H2,1-4H3
InChIKeyYZCZYIOLVQOOHU-UHFFFAOYSA-N
XLogP4.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4,8-dimethylnona-1,3,7-trienyl)-2-methyl-1,3-dioxolane?
The IUPAC name of 2-(4,8-dimethylnona-1,3,7-trienyl)-2-methyl-1,3-dioxolane (CID 144649740) is 2-(4,8-dimethylnona-1,3,7-trienyl)-2-methyl-1,3-dioxolane.
What is the SMILES notation for 2-(4,8-dimethylnona-1,3,7-trienyl)-2-methyl-1,3-dioxolane?
The canonical SMILES for 2-(4,8-dimethylnona-1,3,7-trienyl)-2-methyl-1,3-dioxolane is CC(C)=CCCC(C)=CC=CC1(C)OCCO1.
What is the InChIKey of 2-(4,8-dimethylnona-1,3,7-trienyl)-2-methyl-1,3-dioxolane?
The InChIKey is YZCZYIOLVQOOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-13(2)7-5-8-14(3)9-6-10-15(4)16-11-12-17-15/h6-7,9-10H,5,8,11-12H2,1-4H3.
What are the key properties of 2-(4,8-dimethylnona-1,3,7-trienyl)-2-methyl-1,3-dioxolane?
2-(4,8-dimethylnona-1,3,7-trienyl)-2-methyl-1,3-dioxolane has a molecular weight of 236.35 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,8-dimethylnona-1,3,7-trienyl)-2-methyl-1,3-dioxolane is sourced from PubChem (CID 144649740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).