3-butoxy-3,5,5-trimethyldioxolane

C10H20O3 — CID 71459280

IUPAC3-butoxy-3,5,5-trimethyldioxolane
SMILESCCCCOC1(C)CC(C)(C)OO1
InChIInChI=1S/C10H20O3/c1-5-6-7-11-10(4)8-9(2,3)12-13-10/h5-8H2,1-4H3
InChIKeySXUIIZDTFMNUSI-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.65
Rot. Bonds4

About 3-butoxy-3,5,5-trimethyldioxolane

3-butoxy-3,5,5-trimethyldioxolane (PubChem CID 71459280) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 3-butoxy-3,5,5-trimethyldioxolane.

Molecular Properties

Compound Name3-butoxy-3,5,5-trimethyldioxolane
PubChem CID71459280
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name3-butoxy-3,5,5-trimethyldioxolane
SMILESCCCCOC1(C)CC(C)(C)OO1
InChIInChI=1S/C10H20O3/c1-5-6-7-11-10(4)8-9(2,3)12-13-10/h5-8H2,1-4H3
InChIKeySXUIIZDTFMNUSI-UHFFFAOYSA-N
XLogP2.65
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-butoxy-3,5,5-trimethyldioxolane?
The IUPAC name of 3-butoxy-3,5,5-trimethyldioxolane (CID 71459280) is 3-butoxy-3,5,5-trimethyldioxolane.
What is the SMILES notation for 3-butoxy-3,5,5-trimethyldioxolane?
The canonical SMILES for 3-butoxy-3,5,5-trimethyldioxolane is CCCCOC1(C)CC(C)(C)OO1.
What is the InChIKey of 3-butoxy-3,5,5-trimethyldioxolane?
The InChIKey is SXUIIZDTFMNUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-5-6-7-11-10(4)8-9(2,3)12-13-10/h5-8H2,1-4H3.
What are the key properties of 3-butoxy-3,5,5-trimethyldioxolane?
3-butoxy-3,5,5-trimethyldioxolane has a molecular weight of 188.27 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-3,5,5-trimethyldioxolane is sourced from PubChem (CID 71459280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).