1-[[(2R)-oxan-2-yl]methoxy]ethanol

C8H16O3 — CID 68624351

IUPAC1-[[(2R)-oxan-2-yl]methoxy]ethanol
SMILESCC(O)OC[C@H]1CCCCO1
InChIInChI=1S/C8H16O3/c1-7(9)11-6-8-4-2-3-5-10-8/h7-9H,2-6H2,1H3/t7?,8-/m1/s1
InChIKeyWYSOABQBMGNXJD-BRFYHDHCSA-N
MW160.21 g/mol
LogP0.91
Rot. Bonds3

About 1-[[(2R)-oxan-2-yl]methoxy]ethanol

1-[[(2R)-oxan-2-yl]methoxy]ethanol (PubChem CID 68624351) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is 1-[[(2R)-oxan-2-yl]methoxy]ethanol.

Molecular Properties

Compound Name1-[[(2R)-oxan-2-yl]methoxy]ethanol
PubChem CID68624351
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name1-[[(2R)-oxan-2-yl]methoxy]ethanol
SMILESCC(O)OC[C@H]1CCCCO1
InChIInChI=1S/C8H16O3/c1-7(9)11-6-8-4-2-3-5-10-8/h7-9H,2-6H2,1H3/t7?,8-/m1/s1
InChIKeyWYSOABQBMGNXJD-BRFYHDHCSA-N
XLogP0.91
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 ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(1,3-dimethoxypropan-2-yloxymethyl)oxane
CID 58593438
ethane;[(2S)-oxan-2-yl]methoxy-phenylmethanol
CID 143051501
(2R)-4-[(2R)-oxan-2-yl]butan-2-ol
CID 11171126
oxan-2-ylmethyl 2-methylbutanoate
CID 78836820
(3R)-3-(oxolan-2-ylmethoxy)butanoic acid
CID 103547787
N-[2-(oxolan-2-ylmethoxy)propyl]cyclopentanamine
CID 62572194
1-cyclopropyl-2-(oxan-2-ylmethoxy)ethanol
CID 63907468
3-[1-(oxan-2-ylmethoxy)ethyl]aniline
CID 61262580
2-methyl-2-[[(2S)-2-[[(2R)-oxan-2-yl]methoxy]propanoyl]amino]propanoic acid
CID 125152183
(2R)-2-(2-methylpropyl)oxane
CID 58653197
2-(oxan-2-ylmethoxy)butanehydrazide
CID 63576275
N-[2-(oxolan-2-ylmethoxy)propyl]cyclohexanamine
CID 62572342

Frequently Asked Questions

What is the IUPAC name of 1-[[(2R)-oxan-2-yl]methoxy]ethanol?
The IUPAC name of 1-[[(2R)-oxan-2-yl]methoxy]ethanol (CID 68624351) is 1-[[(2R)-oxan-2-yl]methoxy]ethanol.
What is the SMILES notation for 1-[[(2R)-oxan-2-yl]methoxy]ethanol?
The canonical SMILES for 1-[[(2R)-oxan-2-yl]methoxy]ethanol is CC(O)OC[C@H]1CCCCO1.
What is the InChIKey of 1-[[(2R)-oxan-2-yl]methoxy]ethanol?
The InChIKey is WYSOABQBMGNXJD-BRFYHDHCSA-N. The full InChI is InChI=1S/C8H16O3/c1-7(9)11-6-8-4-2-3-5-10-8/h7-9H,2-6H2,1H3/t7?,8-/m1/s1.
What are the key properties of 1-[[(2R)-oxan-2-yl]methoxy]ethanol?
1-[[(2R)-oxan-2-yl]methoxy]ethanol has a molecular weight of 160.21 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2R)-oxan-2-yl]methoxy]ethanol is sourced from PubChem (CID 68624351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).