(1R)-1-[(2S,6R)-6-methoxyoxan-2-yl]ethane-1,2-diol

C8H16O4 — CID 13108348

IUPAC(1R)-1-[(2S,6R)-6-methoxyoxan-2-yl]ethane-1,2-diol
SMILESCO[C@H]1CCC[C@@H]([C@H](O)CO)O1
InChIInChI=1S/C8H16O4/c1-11-8-4-2-3-7(12-8)6(10)5-9/h6-10H,2-5H2,1H3/t6-,7+,8-/m1/s1
InChIKeyBSUYLXASOVNJCV-GJMOJQLCSA-N
MW176.21 g/mol
LogP-0.12
Rot. Bonds3

About (1R)-1-[(2S,6R)-6-methoxyoxan-2-yl]ethane-1,2-diol

(1R)-1-[(2S,6R)-6-methoxyoxan-2-yl]ethane-1,2-diol (PubChem CID 13108348) has the molecular formula C8H16O4 and a molecular weight of 176.21 g/mol. Its IUPAC name is (1R)-1-[(2S,6R)-6-methoxyoxan-2-yl]ethane-1,2-diol.

Molecular Properties

Compound Name(1R)-1-[(2S,6R)-6-methoxyoxan-2-yl]ethane-1,2-diol
PubChem CID13108348
Molecular FormulaC8H16O4
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Name(1R)-1-[(2S,6R)-6-methoxyoxan-2-yl]ethane-1,2-diol
SMILESCO[C@H]1CCC[C@@H]([C@H](O)CO)O1
InChIInChI=1S/C8H16O4/c1-11-8-4-2-3-7(12-8)6(10)5-9/h6-10H,2-5H2,1H3/t6-,7+,8-/m1/s1
InChIKeyBSUYLXASOVNJCV-GJMOJQLCSA-N
XLogP-0.12
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-[(5R)-5-(2-hydroxypropan-2-yloxy)oxolan-2-yl]ethane-1,2-diol
CID 129172685
(1S)-1-[(2R)-6-ethoxyoxan-2-yl]undecan-1-ol
CID 24773219
(1S,4S)-1,4-bis[(2S,5R)-5-[(1S)-1,2-dihydroxyethyl]oxolan-2-yl]butane-1,4-diol
CID 25228527
1-[(2R)-3-hydroxy-5-methoxyoxolan-2-yl]ethane-1,2-diol
CID 89270965
1-[(2R,3S,5R)-3-hydroxy-5-methoxyoxolan-2-yl]ethane-1,2-diol
CID 89365371
methanol;2-methoxy-6-methyloxane
CID 143625427
(2R)-2-ethyl-6-methoxyoxane
CID 15250108
(6-methoxyoxan-2-yl) 2-methylbutanoate
CID 18336315
(2S,6S)-2-methoxy-6-[2-(oxan-2-yl)ethyl]oxane
CID 134833646
(2R,6R)-2-tert-butyl-6-methoxyoxane
CID 12740301
(2S,3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-4-methoxyoxolane-2,3-diol
CID 100962082
(2R,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-4-methoxyoxolane-2,3-diol
CID 102594814

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(2S,6R)-6-methoxyoxan-2-yl]ethane-1,2-diol?
The IUPAC name of (1R)-1-[(2S,6R)-6-methoxyoxan-2-yl]ethane-1,2-diol (CID 13108348) is (1R)-1-[(2S,6R)-6-methoxyoxan-2-yl]ethane-1,2-diol.
What is the SMILES notation for (1R)-1-[(2S,6R)-6-methoxyoxan-2-yl]ethane-1,2-diol?
The canonical SMILES for (1R)-1-[(2S,6R)-6-methoxyoxan-2-yl]ethane-1,2-diol is CO[C@H]1CCC[C@@H]([C@H](O)CO)O1.
What is the InChIKey of (1R)-1-[(2S,6R)-6-methoxyoxan-2-yl]ethane-1,2-diol?
The InChIKey is BSUYLXASOVNJCV-GJMOJQLCSA-N. The full InChI is InChI=1S/C8H16O4/c1-11-8-4-2-3-7(12-8)6(10)5-9/h6-10H,2-5H2,1H3/t6-,7+,8-/m1/s1.
What are the key properties of (1R)-1-[(2S,6R)-6-methoxyoxan-2-yl]ethane-1,2-diol?
(1R)-1-[(2S,6R)-6-methoxyoxan-2-yl]ethane-1,2-diol has a molecular weight of 176.21 g/mol, XLogP of -0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(2S,6R)-6-methoxyoxan-2-yl]ethane-1,2-diol is sourced from PubChem (CID 13108348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).