ethoxyethane;(2S)-pentan-2-ol

C9H22O2 — CID 157362053

IUPACethoxyethane;(2S)-pentan-2-ol
SMILESCCC[C@H](C)O.CCOCC
InChIInChI=1S/C5H12O.C4H10O/c1-3-4-5(2)6;1-3-5-4-2/h5-6H,3-4H2,1-2H3;3-4H2,1-2H3/t5-;/m0./s1
InChIKeyBITGNZBJNNWTGD-JEDNCBNOSA-N
MW162.27 g/mol
LogP2.21
Rot. Bonds4

About ethoxyethane;(2S)-pentan-2-ol

ethoxyethane;(2S)-pentan-2-ol (PubChem CID 157362053) has the molecular formula C9H22O2 and a molecular weight of 162.27 g/mol. Its IUPAC name is ethoxyethane;(2S)-pentan-2-ol.

Molecular Properties

Compound Nameethoxyethane;(2S)-pentan-2-ol
PubChem CID157362053
Molecular FormulaC9H22O2
Molecular Weight162.27 g/mol
Exact Mass162.16
IUPAC Nameethoxyethane;(2S)-pentan-2-ol
SMILESCCC[C@H](C)O.CCOCC
InChIInChI=1S/C5H12O.C4H10O/c1-3-4-5(2)6;1-3-5-4-2/h5-6H,3-4H2,1-2H3;3-4H2,1-2H3/t5-;/m0./s1
InChIKeyBITGNZBJNNWTGD-JEDNCBNOSA-N
XLogP2.21
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.27
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze ethoxyethane;(2S)-pentan-2-ol 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

(2R)-pentan-2-ol
CID 7014876
cyclohexane;pentan-2-ol
CID 67677243
hexan-2-ol;pentan-2-ol
CID 88680973
ethene;ethoxyethane;propane-1,2-diol
CID 87065647
ethoxyethane;hydroxylamine
CID 135816400
butane-1,1-diol;ethoxyethane;propane-1,2,3-triol
CID 87275832
azane;ethoxyethane;phosphoric acid;propan-2-ol
CID 174578801
1-ethoxypentan-2-ol
CID 21201051
2-methylbutan-2-ol;pentan-2-ol
CID 157230462
azane;ethoxyethane;hydroxylamine
CID 173273228
ethoxyethane;2-methylpentane-2,4-diol
CID 19391902
ethoxyethane;3-hydroxybutanoic acid
CID 86729964

Frequently Asked Questions

What is the IUPAC name of ethoxyethane;(2S)-pentan-2-ol?
The IUPAC name of ethoxyethane;(2S)-pentan-2-ol (CID 157362053) is ethoxyethane;(2S)-pentan-2-ol.
What is the SMILES notation for ethoxyethane;(2S)-pentan-2-ol?
The canonical SMILES for ethoxyethane;(2S)-pentan-2-ol is CCC[C@H](C)O.CCOCC.
What is the InChIKey of ethoxyethane;(2S)-pentan-2-ol?
The InChIKey is BITGNZBJNNWTGD-JEDNCBNOSA-N. The full InChI is InChI=1S/C5H12O.C4H10O/c1-3-4-5(2)6;1-3-5-4-2/h5-6H,3-4H2,1-2H3;3-4H2,1-2H3/t5-;/m0./s1.
What are the key properties of ethoxyethane;(2S)-pentan-2-ol?
ethoxyethane;(2S)-pentan-2-ol has a molecular weight of 162.27 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyethane;(2S)-pentan-2-ol is sourced from PubChem (CID 157362053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).