2-(oxolan-2-yl)ethanol;propan-2-one

C9H18O3 — CID 70356947

IUPAC2-(oxolan-2-yl)ethanol;propan-2-one
SMILESCC(C)=O.OCCC1CCCO1
InChIInChI=1S/C6H12O2.C3H6O/c7-4-3-6-2-1-5-8-6;1-3(2)4/h6-7H,1-5H2;1-2H3
InChIKeyAGINMMAJWZPMMH-UHFFFAOYSA-N
MW174.24 g/mol
LogP1.14
Rot. Bonds2

About 2-(oxolan-2-yl)ethanol;propan-2-one

2-(oxolan-2-yl)ethanol;propan-2-one (PubChem CID 70356947) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is 2-(oxolan-2-yl)ethanol;propan-2-one.

Molecular Properties

Compound Name2-(oxolan-2-yl)ethanol;propan-2-one
PubChem CID70356947
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name2-(oxolan-2-yl)ethanol;propan-2-one
SMILESCC(C)=O.OCCC1CCCO1
InChIInChI=1S/C6H12O2.C3H6O/c7-4-3-6-2-1-5-8-6;1-3(2)4/h6-7H,1-5H2;1-2H3
InChIKeyAGINMMAJWZPMMH-UHFFFAOYSA-N
XLogP1.14
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(oxolan-2-yl)ethanol;propan-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

Related Compounds

1-[(2R)-oxolan-2-yl]propan-2-one
CID 12812293
2-methyl-5-(oxolan-2-yl)pent-1-en-3-one
CID 115780995
N-(2-hydroxyethyl)-N-methyl-3-(oxolan-2-yl)propanamide
CID 60749979
N-(2-hydroxyethyl)-3-(oxolan-2-yl)propanamide
CID 43419593
methanol;[(2S)-oxolan-2-yl]methanol
CID 144618761
acetic acid;1-(oxolan-2-yl)pentan-3-ol
CID 57353713
carbonochloridic acid;oxolan-2-ylmethanol
CID 161118728
methyl N-[2-(oxolan-2-yl)ethyl]carbamate
CID 110731266
5-[(2R)-oxolan-2-yl]pentanoic acid
CID 67391734
1-(oxolan-2-ylmethoxy)propan-2-one
CID 43798300
5-(oxolan-2-yl)pentanamide
CID 67128385
oxolan-2-ylmethanol;hydrochloride
CID 155166529

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-yl)ethanol;propan-2-one?
The IUPAC name of 2-(oxolan-2-yl)ethanol;propan-2-one (CID 70356947) is 2-(oxolan-2-yl)ethanol;propan-2-one.
What is the SMILES notation for 2-(oxolan-2-yl)ethanol;propan-2-one?
The canonical SMILES for 2-(oxolan-2-yl)ethanol;propan-2-one is CC(C)=O.OCCC1CCCO1.
What is the InChIKey of 2-(oxolan-2-yl)ethanol;propan-2-one?
The InChIKey is AGINMMAJWZPMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2.C3H6O/c7-4-3-6-2-1-5-8-6;1-3(2)4/h6-7H,1-5H2;1-2H3.
What are the key properties of 2-(oxolan-2-yl)ethanol;propan-2-one?
2-(oxolan-2-yl)ethanol;propan-2-one has a molecular weight of 174.24 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-yl)ethanol;propan-2-one is sourced from PubChem (CID 70356947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).