4-(2-ethyl-1,3-dioxolan-2-yl)pentan-2-one

C10H18O3 — CID 10655154

IUPAC4-(2-ethyl-1,3-dioxolan-2-yl)pentan-2-one
SMILESCCC1(C(C)CC(C)=O)OCCO1
InChIInChI=1S/C10H18O3/c1-4-10(12-5-6-13-10)8(2)7-9(3)11/h8H,4-7H2,1-3H3
InChIKeyMOKICYDLMJOMSQ-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.75
Rot. Bonds4

About 4-(2-ethyl-1,3-dioxolan-2-yl)pentan-2-one

4-(2-ethyl-1,3-dioxolan-2-yl)pentan-2-one (PubChem CID 10655154) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 4-(2-ethyl-1,3-dioxolan-2-yl)pentan-2-one.

Molecular Properties

Compound Name4-(2-ethyl-1,3-dioxolan-2-yl)pentan-2-one
PubChem CID10655154
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name4-(2-ethyl-1,3-dioxolan-2-yl)pentan-2-one
SMILESCCC1(C(C)CC(C)=O)OCCO1
InChIInChI=1S/C10H18O3/c1-4-10(12-5-6-13-10)8(2)7-9(3)11/h8H,4-7H2,1-3H3
InChIKeyMOKICYDLMJOMSQ-UHFFFAOYSA-N
XLogP1.75
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(2-ethyl-1,3-dioxolan-2-yl)pentan-2-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 4-(2-ethyl-1,3-dioxolan-2-yl)pentan-2-one?
The IUPAC name of 4-(2-ethyl-1,3-dioxolan-2-yl)pentan-2-one (CID 10655154) is 4-(2-ethyl-1,3-dioxolan-2-yl)pentan-2-one.
What is the SMILES notation for 4-(2-ethyl-1,3-dioxolan-2-yl)pentan-2-one?
The canonical SMILES for 4-(2-ethyl-1,3-dioxolan-2-yl)pentan-2-one is CCC1(C(C)CC(C)=O)OCCO1.
What is the InChIKey of 4-(2-ethyl-1,3-dioxolan-2-yl)pentan-2-one?
The InChIKey is MOKICYDLMJOMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-4-10(12-5-6-13-10)8(2)7-9(3)11/h8H,4-7H2,1-3H3.
What are the key properties of 4-(2-ethyl-1,3-dioxolan-2-yl)pentan-2-one?
4-(2-ethyl-1,3-dioxolan-2-yl)pentan-2-one has a molecular weight of 186.25 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethyl-1,3-dioxolan-2-yl)pentan-2-one is sourced from PubChem (CID 10655154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).