2-[(2S)-pentan-2-yl]oxyethanol

C7H16O2 — CID 89167429

IUPAC2-[(2S)-pentan-2-yl]oxyethanol
SMILESCCC[C@H](C)OCCO
InChIInChI=1S/C7H16O2/c1-3-4-7(2)9-6-5-8/h7-8H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyOJJUCAQFBVCYIW-ZETCQYMHSA-N
MW132.20 g/mol
LogP1.18
Rot. Bonds5

About 2-[(2S)-pentan-2-yl]oxyethanol

2-[(2S)-pentan-2-yl]oxyethanol (PubChem CID 89167429) has the molecular formula C7H16O2 and a molecular weight of 132.20 g/mol. Its IUPAC name is 2-[(2S)-pentan-2-yl]oxyethanol.

Molecular Properties

Compound Name2-[(2S)-pentan-2-yl]oxyethanol
PubChem CID89167429
Molecular FormulaC7H16O2
Molecular Weight132.20 g/mol
Exact Mass132.12
IUPAC Name2-[(2S)-pentan-2-yl]oxyethanol
SMILESCCC[C@H](C)OCCO
InChIInChI=1S/C7H16O2/c1-3-4-7(2)9-6-5-8/h7-8H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyOJJUCAQFBVCYIW-ZETCQYMHSA-N
XLogP1.18
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.20
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(2-pentan-2-yloxyethoxy)ethoxy]ethanol
CID 23132047
(4R)-4-propoxypentan-1-ol
CID 54320299
2-butan-2-yloxyethanol;rutherfordium
CID 164705656
2-(1-octan-2-yloxypropan-2-yloxy)ethanol
CID 20688305
(2S)-2-(2-hydroxyethoxy)propan-1-ol
CID 87093044
2-decan-2-yloxyethanol;sulfuric acid
CID 158151690
2-(1-propoxypropan-2-yloxy)ethanol
CID 59676189
2-(2-dodecan-2-yloxyethoxy)ethanol
CID 71420952
2-[2-(2-decan-2-yloxyethoxy)ethoxy]ethanol
CID 87813837
3-(2-hydroxyethoxy)butyl formate
CID 88906039
2-[4-(2-aminoethoxy)butan-2-yloxy]ethanol
CID 138577092
2-(6-methylhept-5-en-2-yloxy)ethanol
CID 13214227

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-pentan-2-yl]oxyethanol?
The IUPAC name of 2-[(2S)-pentan-2-yl]oxyethanol (CID 89167429) is 2-[(2S)-pentan-2-yl]oxyethanol.
What is the SMILES notation for 2-[(2S)-pentan-2-yl]oxyethanol?
The canonical SMILES for 2-[(2S)-pentan-2-yl]oxyethanol is CCC[C@H](C)OCCO.
What is the InChIKey of 2-[(2S)-pentan-2-yl]oxyethanol?
The InChIKey is OJJUCAQFBVCYIW-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H16O2/c1-3-4-7(2)9-6-5-8/h7-8H,3-6H2,1-2H3/t7-/m0/s1.
What are the key properties of 2-[(2S)-pentan-2-yl]oxyethanol?
2-[(2S)-pentan-2-yl]oxyethanol has a molecular weight of 132.20 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-pentan-2-yl]oxyethanol is sourced from PubChem (CID 89167429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).