[(2S,5R)-5-ethoxyoxan-2-yl]methanol

C8H16O3 — CID 166908026

IUPAC[(2S,5R)-5-ethoxyoxan-2-yl]methanol
SMILESCCO[C@@H]1CC[C@@H](CO)OC1
InChIInChI=1S/C8H16O3/c1-2-10-8-4-3-7(5-9)11-6-8/h7-9H,2-6H2,1H3/t7-,8+/m0/s1
InChIKeyAAISILHFXZPIAR-JGVFFNPUSA-N
MW160.21 g/mol
LogP0.56
Rot. Bonds3

About [(2S,5R)-5-ethoxyoxan-2-yl]methanol

[(2S,5R)-5-ethoxyoxan-2-yl]methanol (PubChem CID 166908026) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is [(2S,5R)-5-ethoxyoxan-2-yl]methanol.

Molecular Properties

Compound Name[(2S,5R)-5-ethoxyoxan-2-yl]methanol
PubChem CID166908026
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name[(2S,5R)-5-ethoxyoxan-2-yl]methanol
SMILESCCO[C@@H]1CC[C@@H](CO)OC1
InChIInChI=1S/C8H16O3/c1-2-10-8-4-3-7(5-9)11-6-8/h7-9H,2-6H2,1H3/t7-,8+/m0/s1
InChIKeyAAISILHFXZPIAR-JGVFFNPUSA-N
XLogP0.56
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-methoxyoxan-2-yl)methanol
CID 54040462
1-[6-(hydroxymethyl)oxan-3-yl]oxyethanol
CID 90224438
(5-fluorooxan-2-yl)methanol
CID 90449117
oxiran-2-ylmethanol;propane
CID 91466926
[5-(butoxymethyl)oxan-2-yl]methanol
CID 71178277
2-ethoxyoxolane;oxolan-2-ylmethanol
CID 160542333
ethane;3-ethoxyoxolane
CID 142523367
1-hexoxyhexane;oxiran-2-ylmethanol
CID 87532682
3-ethoxycyclopentan-1-one
CID 15050470
N-[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]propanamide
CID 172572264
[(2S,5R)-5-(tert-butylamino)oxan-2-yl]methanol
CID 177078681
[5-(diethoxyphosphorylmethoxy)oxolan-2-yl]methanol
CID 72564123

Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-5-ethoxyoxan-2-yl]methanol?
The IUPAC name of [(2S,5R)-5-ethoxyoxan-2-yl]methanol (CID 166908026) is [(2S,5R)-5-ethoxyoxan-2-yl]methanol.
What is the SMILES notation for [(2S,5R)-5-ethoxyoxan-2-yl]methanol?
The canonical SMILES for [(2S,5R)-5-ethoxyoxan-2-yl]methanol is CCO[C@@H]1CC[C@@H](CO)OC1.
What is the InChIKey of [(2S,5R)-5-ethoxyoxan-2-yl]methanol?
The InChIKey is AAISILHFXZPIAR-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H16O3/c1-2-10-8-4-3-7(5-9)11-6-8/h7-9H,2-6H2,1H3/t7-,8+/m0/s1.
What are the key properties of [(2S,5R)-5-ethoxyoxan-2-yl]methanol?
[(2S,5R)-5-ethoxyoxan-2-yl]methanol has a molecular weight of 160.21 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5R)-5-ethoxyoxan-2-yl]methanol is sourced from PubChem (CID 166908026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).