2-tert-butyl-5-propyl-1,3-dioxolan-4-one

C10H18O3 — CID 545784

IUPAC2-tert-butyl-5-propyl-1,3-dioxolan-4-one
SMILESCCCC1OC(C(C)(C)C)OC1=O
InChIInChI=1S/C10H18O3/c1-5-6-7-8(11)13-9(12-7)10(2,3)4/h7,9H,5-6H2,1-4H3
InChIKeyILGODMRZDJWLOV-UHFFFAOYSA-N
MW186.25 g/mol
LogP2.10
Rot. Bonds2

About 2-tert-butyl-5-propyl-1,3-dioxolan-4-one

2-tert-butyl-5-propyl-1,3-dioxolan-4-one (PubChem CID 545784) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-tert-butyl-5-propyl-1,3-dioxolan-4-one.

Molecular Properties

Compound Name2-tert-butyl-5-propyl-1,3-dioxolan-4-one
PubChem CID545784
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name2-tert-butyl-5-propyl-1,3-dioxolan-4-one
SMILESCCCC1OC(C(C)(C)C)OC1=O
InChIInChI=1S/C10H18O3/c1-5-6-7-8(11)13-9(12-7)10(2,3)4/h7,9H,5-6H2,1-4H3
InChIKeyILGODMRZDJWLOV-UHFFFAOYSA-N
XLogP2.10
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-tert-butyl-5-propyl-1,3-dioxolan-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-propyl-1,3-dioxolan-4-one?
The IUPAC name of 2-tert-butyl-5-propyl-1,3-dioxolan-4-one (CID 545784) is 2-tert-butyl-5-propyl-1,3-dioxolan-4-one.
What is the SMILES notation for 2-tert-butyl-5-propyl-1,3-dioxolan-4-one?
The canonical SMILES for 2-tert-butyl-5-propyl-1,3-dioxolan-4-one is CCCC1OC(C(C)(C)C)OC1=O.
What is the InChIKey of 2-tert-butyl-5-propyl-1,3-dioxolan-4-one?
The InChIKey is ILGODMRZDJWLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-5-6-7-8(11)13-9(12-7)10(2,3)4/h7,9H,5-6H2,1-4H3.
What are the key properties of 2-tert-butyl-5-propyl-1,3-dioxolan-4-one?
2-tert-butyl-5-propyl-1,3-dioxolan-4-one has a molecular weight of 186.25 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-propyl-1,3-dioxolan-4-one is sourced from PubChem (CID 545784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).