(2R,3S)-3-[(2R)-1-hydroxy-3-methoxypropan-2-yl]oxypentan-2-ol

C9H20O4 — CID 88881367

IUPAC(2R,3S)-3-[(2R)-1-hydroxy-3-methoxypropan-2-yl]oxypentan-2-ol
SMILESCC[C@H](O[C@H](CO)COC)[C@@H](C)O
InChIInChI=1S/C9H20O4/c1-4-9(7(2)11)13-8(5-10)6-12-3/h7-11H,4-6H2,1-3H3/t7-,8-,9+/m1/s1
InChIKeyFRPRWAPTWAQJLU-HLTSFMKQSA-N
MW192.25 g/mol
LogP0.17
Rot. Bonds7

About (2R,3S)-3-[(2R)-1-hydroxy-3-methoxypropan-2-yl]oxypentan-2-ol

(2R,3S)-3-[(2R)-1-hydroxy-3-methoxypropan-2-yl]oxypentan-2-ol (PubChem CID 88881367) has the molecular formula C9H20O4 and a molecular weight of 192.25 g/mol. Its IUPAC name is (2R,3S)-3-[(2R)-1-hydroxy-3-methoxypropan-2-yl]oxypentan-2-ol.

Molecular Properties

Compound Name(2R,3S)-3-[(2R)-1-hydroxy-3-methoxypropan-2-yl]oxypentan-2-ol
PubChem CID88881367
Molecular FormulaC9H20O4
Molecular Weight192.25 g/mol
Exact Mass192.14
IUPAC Name(2R,3S)-3-[(2R)-1-hydroxy-3-methoxypropan-2-yl]oxypentan-2-ol
SMILESCC[C@H](O[C@H](CO)COC)[C@@H](C)O
InChIInChI=1S/C9H20O4/c1-4-9(7(2)11)13-8(5-10)6-12-3/h7-11H,4-6H2,1-3H3/t7-,8-,9+/m1/s1
InChIKeyFRPRWAPTWAQJLU-HLTSFMKQSA-N
XLogP0.17
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-[(2R)-1-hydroxy-3-methoxypropan-2-yl]oxypentan-2-ol?
The IUPAC name of (2R,3S)-3-[(2R)-1-hydroxy-3-methoxypropan-2-yl]oxypentan-2-ol (CID 88881367) is (2R,3S)-3-[(2R)-1-hydroxy-3-methoxypropan-2-yl]oxypentan-2-ol.
What is the SMILES notation for (2R,3S)-3-[(2R)-1-hydroxy-3-methoxypropan-2-yl]oxypentan-2-ol?
The canonical SMILES for (2R,3S)-3-[(2R)-1-hydroxy-3-methoxypropan-2-yl]oxypentan-2-ol is CC[C@H](O[C@H](CO)COC)[C@@H](C)O.
What is the InChIKey of (2R,3S)-3-[(2R)-1-hydroxy-3-methoxypropan-2-yl]oxypentan-2-ol?
The InChIKey is FRPRWAPTWAQJLU-HLTSFMKQSA-N. The full InChI is InChI=1S/C9H20O4/c1-4-9(7(2)11)13-8(5-10)6-12-3/h7-11H,4-6H2,1-3H3/t7-,8-,9+/m1/s1.
What are the key properties of (2R,3S)-3-[(2R)-1-hydroxy-3-methoxypropan-2-yl]oxypentan-2-ol?
(2R,3S)-3-[(2R)-1-hydroxy-3-methoxypropan-2-yl]oxypentan-2-ol has a molecular weight of 192.25 g/mol, XLogP of 0.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-[(2R)-1-hydroxy-3-methoxypropan-2-yl]oxypentan-2-ol is sourced from PubChem (CID 88881367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).