(2S,3R,5R,6R)-2-methyl-6-propan-2-yloxyoxane-3,5-diol

C9H18O4 — CID 130917816

IUPAC(2S,3R,5R,6R)-2-methyl-6-propan-2-yloxyoxane-3,5-diol
SMILESCC(C)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O
InChIInChI=1S/C9H18O4/c1-5(2)12-9-8(11)4-7(10)6(3)13-9/h5-11H,4H2,1-3H3/t6-,7+,8+,9+/m0/s1
InChIKeyCFGOHPXWDXTBKH-JQCXWYLXSA-N
MW190.24 g/mol
LogP0.27
Rot. Bonds2

About (2S,3R,5R,6R)-2-methyl-6-propan-2-yloxyoxane-3,5-diol

(2S,3R,5R,6R)-2-methyl-6-propan-2-yloxyoxane-3,5-diol (PubChem CID 130917816) has the molecular formula C9H18O4 and a molecular weight of 190.24 g/mol. Its IUPAC name is (2S,3R,5R,6R)-2-methyl-6-propan-2-yloxyoxane-3,5-diol.

Molecular Properties

Compound Name(2S,3R,5R,6R)-2-methyl-6-propan-2-yloxyoxane-3,5-diol
PubChem CID130917816
Molecular FormulaC9H18O4
Molecular Weight190.24 g/mol
Exact Mass190.12
IUPAC Name(2S,3R,5R,6R)-2-methyl-6-propan-2-yloxyoxane-3,5-diol
SMILESCC(C)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O
InChIInChI=1S/C9H18O4/c1-5(2)12-9-8(11)4-7(10)6(3)13-9/h5-11H,4H2,1-3H3/t6-,7+,8+,9+/m0/s1
InChIKeyCFGOHPXWDXTBKH-JQCXWYLXSA-N
XLogP0.27
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,5S)-2-methoxy-6-methyloxane-3,5-diol
CID 130896267
(3R)-3-[(2R,3S,5R)-3,5-dihydroxy-6-methyloxan-2-yl]oxybutanoic acid
CID 122544007
(2S,3R,5S,6R)-2-[(2S)-1,4-dihydroxybutan-2-yl]oxy-6-methyloxane-3,5-diol
CID 163072351
(5R)-5-[(2R,3S,5R)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-2,2,4,4-tetramethylhexanoic acid
CID 174153145
(7R)-7-[(3S,5R)-3,5-dihydroxy-6-methyloxan-2-yl]oxyoctan-2-one
CID 144528479
(2R,3R,5R,6S)-2-[(2R)-7-[tert-butyl(dimethyl)silyl]oxyheptan-2-yl]oxy-6-methyloxane-3,5-diol
CID 11682306
(2R,3S,4S,5S)-2-methyl-6-propan-2-yloxyoxane-3,4,5-triol
CID 171600108
(8R)-8-[(2R,3S,5R)-3,5-dihydroxy-6-methyloxan-2-yl]oxynonanoic acid
CID 90448377
(10R)-10-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyundecanoic acid
CID 71514784
(20R)-20-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhenicosanoic acid
CID 86289709
(E,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhept-2-enoic acid
CID 86289656
propan-2-yl 2-[(3R)-3-[(3R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxybutyl]-3-methylcyclopropane-1-carboxylate
CID 155735546

Frequently Asked Questions

What is the IUPAC name of (2S,3R,5R,6R)-2-methyl-6-propan-2-yloxyoxane-3,5-diol?
The IUPAC name of (2S,3R,5R,6R)-2-methyl-6-propan-2-yloxyoxane-3,5-diol (CID 130917816) is (2S,3R,5R,6R)-2-methyl-6-propan-2-yloxyoxane-3,5-diol.
What is the SMILES notation for (2S,3R,5R,6R)-2-methyl-6-propan-2-yloxyoxane-3,5-diol?
The canonical SMILES for (2S,3R,5R,6R)-2-methyl-6-propan-2-yloxyoxane-3,5-diol is CC(C)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O.
What is the InChIKey of (2S,3R,5R,6R)-2-methyl-6-propan-2-yloxyoxane-3,5-diol?
The InChIKey is CFGOHPXWDXTBKH-JQCXWYLXSA-N. The full InChI is InChI=1S/C9H18O4/c1-5(2)12-9-8(11)4-7(10)6(3)13-9/h5-11H,4H2,1-3H3/t6-,7+,8+,9+/m0/s1.
What are the key properties of (2S,3R,5R,6R)-2-methyl-6-propan-2-yloxyoxane-3,5-diol?
(2S,3R,5R,6R)-2-methyl-6-propan-2-yloxyoxane-3,5-diol has a molecular weight of 190.24 g/mol, XLogP of 0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,5R,6R)-2-methyl-6-propan-2-yloxyoxane-3,5-diol is sourced from PubChem (CID 130917816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).