3-ethyl-1-(oxolan-2-yl)pentan-2-ol

C11H22O2 — CID 65148329

IUPAC3-ethyl-1-(oxolan-2-yl)pentan-2-ol
SMILESCCC(CC)C(O)CC1CCCO1
InChIInChI=1S/C11H22O2/c1-3-9(4-2)11(12)8-10-6-5-7-13-10/h9-12H,3-8H2,1-2H3
InChIKeyNAAOAFDKPGLOFL-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.35
Rot. Bonds5

About 3-ethyl-1-(oxolan-2-yl)pentan-2-ol

3-ethyl-1-(oxolan-2-yl)pentan-2-ol (PubChem CID 65148329) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 3-ethyl-1-(oxolan-2-yl)pentan-2-ol.

Molecular Properties

Compound Name3-ethyl-1-(oxolan-2-yl)pentan-2-ol
PubChem CID65148329
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name3-ethyl-1-(oxolan-2-yl)pentan-2-ol
SMILESCCC(CC)C(O)CC1CCCO1
InChIInChI=1S/C11H22O2/c1-3-9(4-2)11(12)8-10-6-5-7-13-10/h9-12H,3-8H2,1-2H3
InChIKeyNAAOAFDKPGLOFL-UHFFFAOYSA-N
XLogP2.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,5S)-5-[[(2S)-oxolan-2-yl]methyl]heptan-2-ol
CID 7095988
4-(oxolan-2-ylmethyl)hexadecan-5-ol
CID 171637766
1-(oxolan-2-yl)heptan-2-ol
CID 62606693
4-methyl-1-(oxolan-2-yl)hexan-3-ol
CID 65162291
1-(oxolan-2-ylmethylsulfanyl)butan-2-ol
CID 103579647
2-(3-bromo-2-methylpropyl)oxolane
CID 66049606
(2S)-2-(3-chloro-2-methylpropyl)oxolane
CID 165447123
ethyl 2-hydroxy-3-(oxolan-2-yl)propanoate
CID 11788721
1-(oxolan-2-yl)heptane-3,4-diol
CID 103454796
N-ethyl-1-(oxolan-2-yl)butan-2-amine
CID 60820573
(2R)-1-(oxolan-2-yl)propan-2-amine
CID 104932128
(2R)-2-ethyloxolane
CID 641529

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(oxolan-2-yl)pentan-2-ol?
The IUPAC name of 3-ethyl-1-(oxolan-2-yl)pentan-2-ol (CID 65148329) is 3-ethyl-1-(oxolan-2-yl)pentan-2-ol.
What is the SMILES notation for 3-ethyl-1-(oxolan-2-yl)pentan-2-ol?
The canonical SMILES for 3-ethyl-1-(oxolan-2-yl)pentan-2-ol is CCC(CC)C(O)CC1CCCO1.
What is the InChIKey of 3-ethyl-1-(oxolan-2-yl)pentan-2-ol?
The InChIKey is NAAOAFDKPGLOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-3-9(4-2)11(12)8-10-6-5-7-13-10/h9-12H,3-8H2,1-2H3.
What are the key properties of 3-ethyl-1-(oxolan-2-yl)pentan-2-ol?
3-ethyl-1-(oxolan-2-yl)pentan-2-ol has a molecular weight of 186.29 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(oxolan-2-yl)pentan-2-ol is sourced from PubChem (CID 65148329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).