(2S,3S)-2-methyl-3-(oxan-2-yloxy)butane-1,4-diol

C10H20O4 — CID 54016843

IUPAC(2S,3S)-2-methyl-3-(oxan-2-yloxy)butane-1,4-diol
SMILESC[C@@H](CO)[C@@H](CO)OC1CCCCO1
InChIInChI=1S/C10H20O4/c1-8(6-11)9(7-12)14-10-4-2-3-5-13-10/h8-12H,2-7H2,1H3/t8-,9+,10?/m0/s1
InChIKeyKWFNQUKQMOJUPL-QIIDTADFSA-N
MW204.27 g/mol
LogP0.52
Rot. Bonds5

About (2S,3S)-2-methyl-3-(oxan-2-yloxy)butane-1,4-diol

(2S,3S)-2-methyl-3-(oxan-2-yloxy)butane-1,4-diol (PubChem CID 54016843) has the molecular formula C10H20O4 and a molecular weight of 204.27 g/mol. Its IUPAC name is (2S,3S)-2-methyl-3-(oxan-2-yloxy)butane-1,4-diol.

Molecular Properties

Compound Name(2S,3S)-2-methyl-3-(oxan-2-yloxy)butane-1,4-diol
PubChem CID54016843
Molecular FormulaC10H20O4
Molecular Weight204.27 g/mol
Exact Mass204.14
IUPAC Name(2S,3S)-2-methyl-3-(oxan-2-yloxy)butane-1,4-diol
SMILESC[C@@H](CO)[C@@H](CO)OC1CCCCO1
InChIInChI=1S/C10H20O4/c1-8(6-11)9(7-12)14-10-4-2-3-5-13-10/h8-12H,2-7H2,1H3/t8-,9+,10?/m0/s1
InChIKeyKWFNQUKQMOJUPL-QIIDTADFSA-N
XLogP0.52
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,1-dideuterio-2-(oxan-2-yloxy)propan-1-ol
CID 169284168
(3S)-3-(oxan-2-yloxy)butan-1-ol
CID 15019404
2-butan-2-yloxyoxane
CID 559028
(2S)-2-(oxan-2-yloxy)pentan-3-ol
CID 89265028
[(2R,3R)-2-methyl-4-methylsulfonyloxy-3-(oxan-2-yloxy)butyl] methanesulfonate
CID 10338580
[(2R,3S)-1-hydroxy-3-(oxan-2-yloxy)butan-2-yl]carbamic acid
CID 90284220
2-(oxan-2-yloxy)propanoic acid
CID 542280
3-(oxan-2-yloxy)butanoic acid
CID 14279636
(3S)-2-(2,2-difluoroethylamino)-3-(oxan-2-yloxy)butan-1-ol
CID 169181575
(3R)-3-[(2R)-oxan-2-yl]oxybutan-1-amine
CID 98010101
(3S)-3-(oxan-2-yloxy)hexan-1-ol
CID 67829431
(3R)-1-chloro-3-(oxan-2-yloxy)butan-2-one
CID 11506704

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-methyl-3-(oxan-2-yloxy)butane-1,4-diol?
The IUPAC name of (2S,3S)-2-methyl-3-(oxan-2-yloxy)butane-1,4-diol (CID 54016843) is (2S,3S)-2-methyl-3-(oxan-2-yloxy)butane-1,4-diol.
What is the SMILES notation for (2S,3S)-2-methyl-3-(oxan-2-yloxy)butane-1,4-diol?
The canonical SMILES for (2S,3S)-2-methyl-3-(oxan-2-yloxy)butane-1,4-diol is C[C@@H](CO)[C@@H](CO)OC1CCCCO1.
What is the InChIKey of (2S,3S)-2-methyl-3-(oxan-2-yloxy)butane-1,4-diol?
The InChIKey is KWFNQUKQMOJUPL-QIIDTADFSA-N. The full InChI is InChI=1S/C10H20O4/c1-8(6-11)9(7-12)14-10-4-2-3-5-13-10/h8-12H,2-7H2,1H3/t8-,9+,10?/m0/s1.
What are the key properties of (2S,3S)-2-methyl-3-(oxan-2-yloxy)butane-1,4-diol?
(2S,3S)-2-methyl-3-(oxan-2-yloxy)butane-1,4-diol has a molecular weight of 204.27 g/mol, XLogP of 0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-methyl-3-(oxan-2-yloxy)butane-1,4-diol is sourced from PubChem (CID 54016843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).