4-decyl-2-ethoxy-1,3-dioxolane

C15H30O3 — CID 13464241

IUPAC4-decyl-2-ethoxy-1,3-dioxolane
SMILESCCCCCCCCCCC1COC(OCC)O1
InChIInChI=1S/C15H30O3/c1-3-5-6-7-8-9-10-11-12-14-13-17-15(18-14)16-4-2/h14-15H,3-13H2,1-2H3
InChIKeyDXRDWTOANVWNEC-UHFFFAOYSA-N
MW258.40 g/mol
LogP4.25
Rot. Bonds11

About 4-decyl-2-ethoxy-1,3-dioxolane

4-decyl-2-ethoxy-1,3-dioxolane (PubChem CID 13464241) has the molecular formula C15H30O3 and a molecular weight of 258.40 g/mol. Its IUPAC name is 4-decyl-2-ethoxy-1,3-dioxolane.

Molecular Properties

Compound Name4-decyl-2-ethoxy-1,3-dioxolane
PubChem CID13464241
Molecular FormulaC15H30O3
Molecular Weight258.40 g/mol
Exact Mass258.22
IUPAC Name4-decyl-2-ethoxy-1,3-dioxolane
SMILESCCCCCCCCCCC1COC(OCC)O1
InChIInChI=1S/C15H30O3/c1-3-5-6-7-8-9-10-11-12-14-13-17-15(18-14)16-4-2/h14-15H,3-13H2,1-2H3
InChIKeyDXRDWTOANVWNEC-UHFFFAOYSA-N
XLogP4.25
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.40
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-decyl-2-ethoxy-1,3-dioxolane?
The IUPAC name of 4-decyl-2-ethoxy-1,3-dioxolane (CID 13464241) is 4-decyl-2-ethoxy-1,3-dioxolane.
What is the SMILES notation for 4-decyl-2-ethoxy-1,3-dioxolane?
The canonical SMILES for 4-decyl-2-ethoxy-1,3-dioxolane is CCCCCCCCCCC1COC(OCC)O1.
What is the InChIKey of 4-decyl-2-ethoxy-1,3-dioxolane?
The InChIKey is DXRDWTOANVWNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O3/c1-3-5-6-7-8-9-10-11-12-14-13-17-15(18-14)16-4-2/h14-15H,3-13H2,1-2H3.
What are the key properties of 4-decyl-2-ethoxy-1,3-dioxolane?
4-decyl-2-ethoxy-1,3-dioxolane has a molecular weight of 258.40 g/mol, XLogP of 4.25, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-decyl-2-ethoxy-1,3-dioxolane is sourced from PubChem (CID 13464241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).