2-butyl-1,3-dioxolane

C7H14O2 — CID 521146

IUPAC2-butyl-1,3-dioxolane
SMILESCCCCC1OCCO1
InChIInChI=1S/C7H14O2/c1-2-3-4-7-8-5-6-9-7/h7H,2-6H2,1H3
InChIKeyKODJTPVSRWYRDF-UHFFFAOYSA-N
MW130.19 g/mol
LogP1.55
Rot. Bonds3

About 2-butyl-1,3-dioxolane

2-butyl-1,3-dioxolane (PubChem CID 521146) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is 2-butyl-1,3-dioxolane.

Molecular Properties

Compound Name2-butyl-1,3-dioxolane
PubChem CID521146
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name2-butyl-1,3-dioxolane
SMILESCCCCC1OCCO1
InChIInChI=1S/C7H14O2/c1-2-3-4-7-8-5-6-9-7/h7H,2-6H2,1H3
InChIKeyKODJTPVSRWYRDF-UHFFFAOYSA-N
XLogP1.55
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-1,3-dioxolane?
The IUPAC name of 2-butyl-1,3-dioxolane (CID 521146) is 2-butyl-1,3-dioxolane.
What is the SMILES notation for 2-butyl-1,3-dioxolane?
The canonical SMILES for 2-butyl-1,3-dioxolane is CCCCC1OCCO1.
What is the InChIKey of 2-butyl-1,3-dioxolane?
The InChIKey is KODJTPVSRWYRDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2/c1-2-3-4-7-8-5-6-9-7/h7H,2-6H2,1H3.
What are the key properties of 2-butyl-1,3-dioxolane?
2-butyl-1,3-dioxolane has a molecular weight of 130.19 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1,3-dioxolane is sourced from PubChem (CID 521146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).