3-ethyl-6-(2-hydroxypropan-2-yl)oxan-2-ol

C10H20O3 — CID 167278397

IUPAC3-ethyl-6-(2-hydroxypropan-2-yl)oxan-2-ol
SMILESCCC1CCC(C(C)(C)O)OC1O
InChIInChI=1S/C10H20O3/c1-4-7-5-6-8(10(2,3)12)13-9(7)11/h7-9,11-12H,4-6H2,1-3H3
InChIKeyCJGLENCFUXIDNO-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.28
Rot. Bonds2

About 3-ethyl-6-(2-hydroxypropan-2-yl)oxan-2-ol

3-ethyl-6-(2-hydroxypropan-2-yl)oxan-2-ol (PubChem CID 167278397) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 3-ethyl-6-(2-hydroxypropan-2-yl)oxan-2-ol.

Molecular Properties

Compound Name3-ethyl-6-(2-hydroxypropan-2-yl)oxan-2-ol
PubChem CID167278397
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name3-ethyl-6-(2-hydroxypropan-2-yl)oxan-2-ol
SMILESCCC1CCC(C(C)(C)O)OC1O
InChIInChI=1S/C10H20O3/c1-4-7-5-6-8(10(2,3)12)13-9(7)11/h7-9,11-12H,4-6H2,1-3H3
InChIKeyCJGLENCFUXIDNO-UHFFFAOYSA-N
XLogP1.28
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2R,5S)-5-[(2R,5S)-5-[(2R,5R)-5-[(2S,5R)-5-[(2S,5R)-5-(2-hydroxypropan-2-yl)oxolan-2-yl]oxolan-2-yl]oxolan-2-yl]oxolan-2-yl]oxolan-2-yl]propan-2-ol
CID 101133158
6-(2-hydroxypropan-2-yl)oxan-2-ol
CID 175813988
trans-(1R,2R)-1,2-diethylcyclobutane
CID 59110889
2-(2-ethylcyclopentyl)propan-2-ol
CID 143832066
(3S)-4-ethyloxolan-3-ol
CID 147211957
(2-ethylcyclobutyl)methanamine
CID 58519219
(2R,3S,6R)-4-ethyl-6-methyloxane-2,3-diol
CID 89075898
3-ethyl-2,6-dimethyloxane
CID 54145589
cis-(2S,5S)-2-ethyl-5-methylcyclopentan-1-ol;ethane
CID 142059714
1,3-diethyl-2-methylcyclopentane
CID 123589151
(2R)-2-ethylcyclopropan-1-ol
CID 173498082
3-ethyl-5-methyloxan-4-ol
CID 59103761

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-(2-hydroxypropan-2-yl)oxan-2-ol?
The IUPAC name of 3-ethyl-6-(2-hydroxypropan-2-yl)oxan-2-ol (CID 167278397) is 3-ethyl-6-(2-hydroxypropan-2-yl)oxan-2-ol.
What is the SMILES notation for 3-ethyl-6-(2-hydroxypropan-2-yl)oxan-2-ol?
The canonical SMILES for 3-ethyl-6-(2-hydroxypropan-2-yl)oxan-2-ol is CCC1CCC(C(C)(C)O)OC1O.
What is the InChIKey of 3-ethyl-6-(2-hydroxypropan-2-yl)oxan-2-ol?
The InChIKey is CJGLENCFUXIDNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-4-7-5-6-8(10(2,3)12)13-9(7)11/h7-9,11-12H,4-6H2,1-3H3.
What are the key properties of 3-ethyl-6-(2-hydroxypropan-2-yl)oxan-2-ol?
3-ethyl-6-(2-hydroxypropan-2-yl)oxan-2-ol has a molecular weight of 188.27 g/mol, XLogP of 1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-(2-hydroxypropan-2-yl)oxan-2-ol is sourced from PubChem (CID 167278397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).