2-methyl-2-[2-(2-oct-4-enyl-1,3-dioxolan-2-yl)ethyl]-1,3-dioxolane

C17H30O4 — CID 123149363

IUPAC2-methyl-2-[2-(2-oct-4-enyl-1,3-dioxolan-2-yl)ethyl]-1,3-dioxolane
SMILESCCCC=CCCCC1(CCC2(C)OCCO2)OCCO1
InChIInChI=1S/C17H30O4/c1-3-4-5-6-7-8-9-17(20-14-15-21-17)11-10-16(2)18-12-13-19-16/h5-6H,3-4,7-15H2,1-2H3
InChIKeyZOSCLRGXEJTICF-UHFFFAOYSA-N
MW298.42 g/mol
LogP3.80
Rot. Bonds9

About 2-methyl-2-[2-(2-oct-4-enyl-1,3-dioxolan-2-yl)ethyl]-1,3-dioxolane

2-methyl-2-[2-(2-oct-4-enyl-1,3-dioxolan-2-yl)ethyl]-1,3-dioxolane (PubChem CID 123149363) has the molecular formula C17H30O4 and a molecular weight of 298.42 g/mol. Its IUPAC name is 2-methyl-2-[2-(2-oct-4-enyl-1,3-dioxolan-2-yl)ethyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-methyl-2-[2-(2-oct-4-enyl-1,3-dioxolan-2-yl)ethyl]-1,3-dioxolane
PubChem CID123149363
Molecular FormulaC17H30O4
Molecular Weight298.42 g/mol
Exact Mass298.21
IUPAC Name2-methyl-2-[2-(2-oct-4-enyl-1,3-dioxolan-2-yl)ethyl]-1,3-dioxolane
SMILESCCCC=CCCCC1(CCC2(C)OCCO2)OCCO1
InChIInChI=1S/C17H30O4/c1-3-4-5-6-7-8-9-17(20-14-15-21-17)11-10-16(2)18-12-13-19-16/h5-6H,3-4,7-15H2,1-2H3
InChIKeyZOSCLRGXEJTICF-UHFFFAOYSA-N
XLogP3.80
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.42
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[2-(2-oct-4-enyl-1,3-dioxolan-2-yl)ethyl]-1,3-dioxolane?
The IUPAC name of 2-methyl-2-[2-(2-oct-4-enyl-1,3-dioxolan-2-yl)ethyl]-1,3-dioxolane (CID 123149363) is 2-methyl-2-[2-(2-oct-4-enyl-1,3-dioxolan-2-yl)ethyl]-1,3-dioxolane.
What is the SMILES notation for 2-methyl-2-[2-(2-oct-4-enyl-1,3-dioxolan-2-yl)ethyl]-1,3-dioxolane?
The canonical SMILES for 2-methyl-2-[2-(2-oct-4-enyl-1,3-dioxolan-2-yl)ethyl]-1,3-dioxolane is CCCC=CCCCC1(CCC2(C)OCCO2)OCCO1.
What is the InChIKey of 2-methyl-2-[2-(2-oct-4-enyl-1,3-dioxolan-2-yl)ethyl]-1,3-dioxolane?
The InChIKey is ZOSCLRGXEJTICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O4/c1-3-4-5-6-7-8-9-17(20-14-15-21-17)11-10-16(2)18-12-13-19-16/h5-6H,3-4,7-15H2,1-2H3.
What are the key properties of 2-methyl-2-[2-(2-oct-4-enyl-1,3-dioxolan-2-yl)ethyl]-1,3-dioxolane?
2-methyl-2-[2-(2-oct-4-enyl-1,3-dioxolan-2-yl)ethyl]-1,3-dioxolane has a molecular weight of 298.42 g/mol, XLogP of 3.80, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[2-(2-oct-4-enyl-1,3-dioxolan-2-yl)ethyl]-1,3-dioxolane is sourced from PubChem (CID 123149363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).