3-ethyl-5-propan-2-yldioxolane

C8H16O2 — CID 14982104

IUPAC3-ethyl-5-propan-2-yldioxolane
SMILESCCC1CC(C(C)C)OO1
InChIInChI=1S/C8H16O2/c1-4-7-5-8(6(2)3)10-9-7/h6-8H,4-5H2,1-3H3
InChIKeyFTZKVWRNKMLGAT-UHFFFAOYSA-N
MW144.21 g/mol
LogP2.14
Rot. Bonds2

About 3-ethyl-5-propan-2-yldioxolane

3-ethyl-5-propan-2-yldioxolane (PubChem CID 14982104) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 3-ethyl-5-propan-2-yldioxolane.

Molecular Properties

Compound Name3-ethyl-5-propan-2-yldioxolane
PubChem CID14982104
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name3-ethyl-5-propan-2-yldioxolane
SMILESCCC1CC(C(C)C)OO1
InChIInChI=1S/C8H16O2/c1-4-7-5-8(6(2)3)10-9-7/h6-8H,4-5H2,1-3H3
InChIKeyFTZKVWRNKMLGAT-UHFFFAOYSA-N
XLogP2.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-propan-2-yldioxolane?
The IUPAC name of 3-ethyl-5-propan-2-yldioxolane (CID 14982104) is 3-ethyl-5-propan-2-yldioxolane.
What is the SMILES notation for 3-ethyl-5-propan-2-yldioxolane?
The canonical SMILES for 3-ethyl-5-propan-2-yldioxolane is CCC1CC(C(C)C)OO1.
What is the InChIKey of 3-ethyl-5-propan-2-yldioxolane?
The InChIKey is FTZKVWRNKMLGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-4-7-5-8(6(2)3)10-9-7/h6-8H,4-5H2,1-3H3.
What are the key properties of 3-ethyl-5-propan-2-yldioxolane?
3-ethyl-5-propan-2-yldioxolane has a molecular weight of 144.21 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-propan-2-yldioxolane is sourced from PubChem (CID 14982104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).