2-tert-butyl-1,3-dioxolane

C7H14O2 — CID 552073

IUPAC2-tert-butyl-1,3-dioxolane
SMILESCC(C)(C)C1OCCO1
InChIInChI=1S/C7H14O2/c1-7(2,3)6-8-4-5-9-6/h6H,4-5H2,1-3H3
InChIKeyZJINNOYGAUCFHL-UHFFFAOYSA-N
MW130.19 g/mol
LogP1.41
Rot. Bonds

About 2-tert-butyl-1,3-dioxolane

2-tert-butyl-1,3-dioxolane (PubChem CID 552073) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is 2-tert-butyl-1,3-dioxolane.

Molecular Properties

Compound Name2-tert-butyl-1,3-dioxolane
PubChem CID552073
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name2-tert-butyl-1,3-dioxolane
SMILESCC(C)(C)C1OCCO1
InChIInChI=1S/C7H14O2/c1-7(2,3)6-8-4-5-9-6/h6H,4-5H2,1-3H3
InChIKeyZJINNOYGAUCFHL-UHFFFAOYSA-N
XLogP1.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1,3-dioxolane?
The IUPAC name of 2-tert-butyl-1,3-dioxolane (CID 552073) is 2-tert-butyl-1,3-dioxolane.
What is the SMILES notation for 2-tert-butyl-1,3-dioxolane?
The canonical SMILES for 2-tert-butyl-1,3-dioxolane is CC(C)(C)C1OCCO1.
What is the InChIKey of 2-tert-butyl-1,3-dioxolane?
The InChIKey is ZJINNOYGAUCFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2/c1-7(2,3)6-8-4-5-9-6/h6H,4-5H2,1-3H3.
What are the key properties of 2-tert-butyl-1,3-dioxolane?
2-tert-butyl-1,3-dioxolane has a molecular weight of 130.19 g/mol, XLogP of 1.41, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1,3-dioxolane is sourced from PubChem (CID 552073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).