(2S,5S)-2-methoxy-6-methyloxane-3,5-diol

C7H14O4 — CID 130896267

IUPAC(2S,5S)-2-methoxy-6-methyloxane-3,5-diol
SMILESCO[C@H]1OC(C)[C@@H](O)CC1O
InChIInChI=1S/C7H14O4/c1-4-5(8)3-6(9)7(10-2)11-4/h4-9H,3H2,1-2H3/t4?,5-,6?,7-/m0/s1
InChIKeyDRIBCYZSKHETPK-QVXSNWCSSA-N
MW162.18 g/mol
LogP-0.51
Rot. Bonds1

About (2S,5S)-2-methoxy-6-methyloxane-3,5-diol

(2S,5S)-2-methoxy-6-methyloxane-3,5-diol (PubChem CID 130896267) has the molecular formula C7H14O4 and a molecular weight of 162.18 g/mol. Its IUPAC name is (2S,5S)-2-methoxy-6-methyloxane-3,5-diol.

Molecular Properties

Compound Name(2S,5S)-2-methoxy-6-methyloxane-3,5-diol
PubChem CID130896267
Molecular FormulaC7H14O4
Molecular Weight162.18 g/mol
Exact Mass162.09
IUPAC Name(2S,5S)-2-methoxy-6-methyloxane-3,5-diol
SMILESCO[C@H]1OC(C)[C@@H](O)CC1O
InChIInChI=1S/C7H14O4/c1-4-5(8)3-6(9)7(10-2)11-4/h4-9H,3H2,1-2H3/t4?,5-,6?,7-/m0/s1
InChIKeyDRIBCYZSKHETPK-QVXSNWCSSA-N
XLogP-0.51
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.18
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3R,5R,6R)-2-methyl-6-propan-2-yloxyoxane-3,5-diol
CID 130917816
(2S,3R,5S)-2,5-dimethoxyoxolan-3-ol
CID 99988447
(2S,3S,4S,5R,6R)-4-[(2R,3R,5R,6R)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-6-(hydroxymethyl)-3-methoxyoxane-2,5-diol
CID 91855274
(2S,3S,5S,6R)-6-ethenoxy-5-methoxy-2-methyloxan-3-ol
CID 166986248
6-(hydroxymethyl)-2,5-dimethoxyoxan-3-ol
CID 146226308
(2R,3S,5R)-2-methyl-6-trimethoxysilyloxane-3,5-diol
CID 142725701
(2S,3R,5S)-5-[chloro(hydroxy)methyl]-2-methoxyoxolan-3-ol
CID 68562521
(2R,3R,4S,5R,6S)-4,5,6-trimethoxy-2-methyloxan-3-ol
CID 13122553
(2S,3R,5S,6R)-2-[(2S)-1,4-dihydroxybutan-2-yl]oxy-6-methyloxane-3,5-diol
CID 163072351
(3R)-3-[(2R,3S,5R)-3,5-dihydroxy-6-methyloxan-2-yl]oxybutanoic acid
CID 122544007
(2R,3R,5S)-2-methoxy-6-methyloxane-3,4,5-triol
CID 155602482
(2S,3R,4R,5S,6R)-2-methoxy-6-methyloxane-3,4,5-triol
CID 12904923

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-2-methoxy-6-methyloxane-3,5-diol?
The IUPAC name of (2S,5S)-2-methoxy-6-methyloxane-3,5-diol (CID 130896267) is (2S,5S)-2-methoxy-6-methyloxane-3,5-diol.
What is the SMILES notation for (2S,5S)-2-methoxy-6-methyloxane-3,5-diol?
The canonical SMILES for (2S,5S)-2-methoxy-6-methyloxane-3,5-diol is CO[C@H]1OC(C)[C@@H](O)CC1O.
What is the InChIKey of (2S,5S)-2-methoxy-6-methyloxane-3,5-diol?
The InChIKey is DRIBCYZSKHETPK-QVXSNWCSSA-N. The full InChI is InChI=1S/C7H14O4/c1-4-5(8)3-6(9)7(10-2)11-4/h4-9H,3H2,1-2H3/t4?,5-,6?,7-/m0/s1.
What are the key properties of (2S,5S)-2-methoxy-6-methyloxane-3,5-diol?
(2S,5S)-2-methoxy-6-methyloxane-3,5-diol has a molecular weight of 162.18 g/mol, XLogP of -0.51, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-2-methoxy-6-methyloxane-3,5-diol is sourced from PubChem (CID 130896267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).