2-[(2S)-3-methylpentan-2-yl]oxyethanol

C8H18O2 — CID 91428626

IUPAC2-[(2S)-3-methylpentan-2-yl]oxyethanol
SMILESCCC(C)[C@H](C)OCCO
InChIInChI=1S/C8H18O2/c1-4-7(2)8(3)10-6-5-9/h7-9H,4-6H2,1-3H3/t7?,8-/m0/s1
InChIKeyIZTPGMLZKROKQR-MQWKRIRWSA-N
MW146.23 g/mol
LogP1.43
Rot. Bonds5

About 2-[(2S)-3-methylpentan-2-yl]oxyethanol

2-[(2S)-3-methylpentan-2-yl]oxyethanol (PubChem CID 91428626) has the molecular formula C8H18O2 and a molecular weight of 146.23 g/mol. Its IUPAC name is 2-[(2S)-3-methylpentan-2-yl]oxyethanol.

Molecular Properties

Compound Name2-[(2S)-3-methylpentan-2-yl]oxyethanol
PubChem CID91428626
Molecular FormulaC8H18O2
Molecular Weight146.23 g/mol
Exact Mass146.13
IUPAC Name2-[(2S)-3-methylpentan-2-yl]oxyethanol
SMILESCCC(C)[C@H](C)OCCO
InChIInChI=1S/C8H18O2/c1-4-7(2)8(3)10-6-5-9/h7-9H,4-6H2,1-3H3/t7?,8-/m0/s1
InChIKeyIZTPGMLZKROKQR-MQWKRIRWSA-N
XLogP1.43
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(2S)-3-methylpentan-2-yl]oxyethanol 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

2-[3-(2-hydroxyethoxy)butan-2-yloxy]ethanol
CID 14291300
2-(3-aminobutan-2-yloxy)ethanol
CID 142952551
2-(2-hydroxyethoxy)propane-1,1-diol
CID 159544993
2-butan-2-yloxyethanol;rutherfordium
CID 164705656
2-(3,7-dimethyloctan-4-yloxy)ethanol
CID 142712484
2-[2-[2-[2-(3-methylbutan-2-yloxy)ethoxy]ethoxy]ethoxy]ethanol
CID 139963056
2-[2-(3-methylbutan-2-yloxy)ethoxy]ethanol
CID 87592876
2-(1-chloropropoxy)ethanol
CID 19070492
(2R,3R)-2,3-dipropoxybutane
CID 118445331
(2S)-2-(2-hydroxyethoxy)propan-1-ol
CID 87093044
2-[(2S)-pentan-2-yl]oxyethanol
CID 89167429
2-(methoxymethoxy)-3-methylpentane
CID 54188035

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-3-methylpentan-2-yl]oxyethanol?
The IUPAC name of 2-[(2S)-3-methylpentan-2-yl]oxyethanol (CID 91428626) is 2-[(2S)-3-methylpentan-2-yl]oxyethanol.
What is the SMILES notation for 2-[(2S)-3-methylpentan-2-yl]oxyethanol?
The canonical SMILES for 2-[(2S)-3-methylpentan-2-yl]oxyethanol is CCC(C)[C@H](C)OCCO.
What is the InChIKey of 2-[(2S)-3-methylpentan-2-yl]oxyethanol?
The InChIKey is IZTPGMLZKROKQR-MQWKRIRWSA-N. The full InChI is InChI=1S/C8H18O2/c1-4-7(2)8(3)10-6-5-9/h7-9H,4-6H2,1-3H3/t7?,8-/m0/s1.
What are the key properties of 2-[(2S)-3-methylpentan-2-yl]oxyethanol?
2-[(2S)-3-methylpentan-2-yl]oxyethanol has a molecular weight of 146.23 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-3-methylpentan-2-yl]oxyethanol is sourced from PubChem (CID 91428626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).