2-(1-ethylcyclopropyl)-2-methyl-1,3-dioxolane

C9H16O2 — CID 22042443

IUPAC2-(1-ethylcyclopropyl)-2-methyl-1,3-dioxolane
SMILESCCC1(C2(C)OCCO2)CC1
InChIInChI=1S/C9H16O2/c1-3-9(4-5-9)8(2)10-6-7-11-8/h3-7H2,1-2H3
InChIKeyBLQNGAUNTBWUFL-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.94
Rot. Bonds2

About 2-(1-ethylcyclopropyl)-2-methyl-1,3-dioxolane

2-(1-ethylcyclopropyl)-2-methyl-1,3-dioxolane (PubChem CID 22042443) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 2-(1-ethylcyclopropyl)-2-methyl-1,3-dioxolane.

Molecular Properties

Compound Name2-(1-ethylcyclopropyl)-2-methyl-1,3-dioxolane
PubChem CID22042443
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name2-(1-ethylcyclopropyl)-2-methyl-1,3-dioxolane
SMILESCCC1(C2(C)OCCO2)CC1
InChIInChI=1S/C9H16O2/c1-3-9(4-5-9)8(2)10-6-7-11-8/h3-7H2,1-2H3
InChIKeyBLQNGAUNTBWUFL-UHFFFAOYSA-N
XLogP1.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(1-ethylcyclopropyl)-2-methyl-1,3-dioxolane 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-(1-ethylcyclopropyl)-2-methyl-1,3-dioxolane?
The IUPAC name of 2-(1-ethylcyclopropyl)-2-methyl-1,3-dioxolane (CID 22042443) is 2-(1-ethylcyclopropyl)-2-methyl-1,3-dioxolane.
What is the SMILES notation for 2-(1-ethylcyclopropyl)-2-methyl-1,3-dioxolane?
The canonical SMILES for 2-(1-ethylcyclopropyl)-2-methyl-1,3-dioxolane is CCC1(C2(C)OCCO2)CC1.
What is the InChIKey of 2-(1-ethylcyclopropyl)-2-methyl-1,3-dioxolane?
The InChIKey is BLQNGAUNTBWUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-3-9(4-5-9)8(2)10-6-7-11-8/h3-7H2,1-2H3.
What are the key properties of 2-(1-ethylcyclopropyl)-2-methyl-1,3-dioxolane?
2-(1-ethylcyclopropyl)-2-methyl-1,3-dioxolane has a molecular weight of 156.22 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylcyclopropyl)-2-methyl-1,3-dioxolane is sourced from PubChem (CID 22042443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).