1-(3-ethoxy-2-methyloxolan-3-yl)propan-1-one

C10H18O3 — CID 83225931

IUPAC1-(3-ethoxy-2-methyloxolan-3-yl)propan-1-one
SMILESCCOC1(C(=O)CC)CCOC1C
InChIInChI=1S/C10H18O3/c1-4-9(11)10(13-5-2)6-7-12-8(10)3/h8H,4-7H2,1-3H3
InChIKeyPBEWQLJZECNQCK-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.55
Rot. Bonds4

About 1-(3-ethoxy-2-methyloxolan-3-yl)propan-1-one

1-(3-ethoxy-2-methyloxolan-3-yl)propan-1-one (PubChem CID 83225931) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 1-(3-ethoxy-2-methyloxolan-3-yl)propan-1-one.

Molecular Properties

Compound Name1-(3-ethoxy-2-methyloxolan-3-yl)propan-1-one
PubChem CID83225931
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name1-(3-ethoxy-2-methyloxolan-3-yl)propan-1-one
SMILESCCOC1(C(=O)CC)CCOC1C
InChIInChI=1S/C10H18O3/c1-4-9(11)10(13-5-2)6-7-12-8(10)3/h8H,4-7H2,1-3H3
InChIKeyPBEWQLJZECNQCK-UHFFFAOYSA-N
XLogP1.55
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 ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(3-ethoxy-2-methyloxolan-3-yl)propan-1-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 1-(3-ethoxy-2-methyloxolan-3-yl)propan-1-one?
The IUPAC name of 1-(3-ethoxy-2-methyloxolan-3-yl)propan-1-one (CID 83225931) is 1-(3-ethoxy-2-methyloxolan-3-yl)propan-1-one.
What is the SMILES notation for 1-(3-ethoxy-2-methyloxolan-3-yl)propan-1-one?
The canonical SMILES for 1-(3-ethoxy-2-methyloxolan-3-yl)propan-1-one is CCOC1(C(=O)CC)CCOC1C.
What is the InChIKey of 1-(3-ethoxy-2-methyloxolan-3-yl)propan-1-one?
The InChIKey is PBEWQLJZECNQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-4-9(11)10(13-5-2)6-7-12-8(10)3/h8H,4-7H2,1-3H3.
What are the key properties of 1-(3-ethoxy-2-methyloxolan-3-yl)propan-1-one?
1-(3-ethoxy-2-methyloxolan-3-yl)propan-1-one has a molecular weight of 186.25 g/mol, XLogP of 1.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxy-2-methyloxolan-3-yl)propan-1-one is sourced from PubChem (CID 83225931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).