[(3S,4R,5R)-4,5-diethoxyoxolan-3-yl]methanol

C9H18O4 — CID 162881460

IUPAC[(3S,4R,5R)-4,5-diethoxyoxolan-3-yl]methanol
SMILESCCO[C@@H]1OC[C@H](CO)[C@H]1OCC
InChIInChI=1S/C9H18O4/c1-3-11-8-7(5-10)6-13-9(8)12-4-2/h7-10H,3-6H2,1-2H3/t7-,8+,9+/m0/s1
InChIKeyVVVKYJHKJAFPDY-DJLDLDEBSA-N
MW190.24 g/mol
LogP0.39
Rot. Bonds5

About [(3S,4R,5R)-4,5-diethoxyoxolan-3-yl]methanol

[(3S,4R,5R)-4,5-diethoxyoxolan-3-yl]methanol (PubChem CID 162881460) has the molecular formula C9H18O4 and a molecular weight of 190.24 g/mol. Its IUPAC name is [(3S,4R,5R)-4,5-diethoxyoxolan-3-yl]methanol.

Molecular Properties

Compound Name[(3S,4R,5R)-4,5-diethoxyoxolan-3-yl]methanol
PubChem CID162881460
Molecular FormulaC9H18O4
Molecular Weight190.24 g/mol
Exact Mass190.12
IUPAC Name[(3S,4R,5R)-4,5-diethoxyoxolan-3-yl]methanol
SMILESCCO[C@@H]1OC[C@H](CO)[C@H]1OCC
InChIInChI=1S/C9H18O4/c1-3-11-8-7(5-10)6-13-9(8)12-4-2/h7-10H,3-6H2,1-2H3/t7-,8+,9+/m0/s1
InChIKeyVVVKYJHKJAFPDY-DJLDLDEBSA-N
XLogP0.39
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3S,4R,5R)-4,5-diethoxyoxolan-3-yl]methanol?
The IUPAC name of [(3S,4R,5R)-4,5-diethoxyoxolan-3-yl]methanol (CID 162881460) is [(3S,4R,5R)-4,5-diethoxyoxolan-3-yl]methanol.
What is the SMILES notation for [(3S,4R,5R)-4,5-diethoxyoxolan-3-yl]methanol?
The canonical SMILES for [(3S,4R,5R)-4,5-diethoxyoxolan-3-yl]methanol is CCO[C@@H]1OC[C@H](CO)[C@H]1OCC.
What is the InChIKey of [(3S,4R,5R)-4,5-diethoxyoxolan-3-yl]methanol?
The InChIKey is VVVKYJHKJAFPDY-DJLDLDEBSA-N. The full InChI is InChI=1S/C9H18O4/c1-3-11-8-7(5-10)6-13-9(8)12-4-2/h7-10H,3-6H2,1-2H3/t7-,8+,9+/m0/s1.
What are the key properties of [(3S,4R,5R)-4,5-diethoxyoxolan-3-yl]methanol?
[(3S,4R,5R)-4,5-diethoxyoxolan-3-yl]methanol has a molecular weight of 190.24 g/mol, XLogP of 0.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4R,5R)-4,5-diethoxyoxolan-3-yl]methanol is sourced from PubChem (CID 162881460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).