[(5R,6S)-5-methyl-6-[(2S)-oxetan-2-yl]oxyoxan-2-yl]methanol

C10H18O4 — CID 70806162

IUPAC[(5R,6S)-5-methyl-6-[(2S)-oxetan-2-yl]oxyoxan-2-yl]methanol
SMILESC[C@@H]1CCC(CO)O[C@H]1O[C@H]1CCO1
InChIInChI=1S/C10H18O4/c1-7-2-3-8(6-11)13-10(7)14-9-4-5-12-9/h7-11H,2-6H2,1H3/t7-,8?,9+,10+/m1/s1
InChIKeyXMCFFHLJSXZXLI-ITRGKUQCSA-N
MW202.25 g/mol
LogP0.88
Rot. Bonds3

About [(5R,6S)-5-methyl-6-[(2S)-oxetan-2-yl]oxyoxan-2-yl]methanol

[(5R,6S)-5-methyl-6-[(2S)-oxetan-2-yl]oxyoxan-2-yl]methanol (PubChem CID 70806162) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is [(5R,6S)-5-methyl-6-[(2S)-oxetan-2-yl]oxyoxan-2-yl]methanol.

Molecular Properties

Compound Name[(5R,6S)-5-methyl-6-[(2S)-oxetan-2-yl]oxyoxan-2-yl]methanol
PubChem CID70806162
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name[(5R,6S)-5-methyl-6-[(2S)-oxetan-2-yl]oxyoxan-2-yl]methanol
SMILESC[C@@H]1CCC(CO)O[C@H]1O[C@H]1CCO1
InChIInChI=1S/C10H18O4/c1-7-2-3-8(6-11)13-10(7)14-9-4-5-12-9/h7-11H,2-6H2,1H3/t7-,8?,9+,10+/m1/s1
InChIKeyXMCFFHLJSXZXLI-ITRGKUQCSA-N
XLogP0.88
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(5R,6S)-5-methyl-6-[(2S)-oxetan-2-yl]oxyoxan-2-yl]methanol?
The IUPAC name of [(5R,6S)-5-methyl-6-[(2S)-oxetan-2-yl]oxyoxan-2-yl]methanol (CID 70806162) is [(5R,6S)-5-methyl-6-[(2S)-oxetan-2-yl]oxyoxan-2-yl]methanol.
What is the SMILES notation for [(5R,6S)-5-methyl-6-[(2S)-oxetan-2-yl]oxyoxan-2-yl]methanol?
The canonical SMILES for [(5R,6S)-5-methyl-6-[(2S)-oxetan-2-yl]oxyoxan-2-yl]methanol is C[C@@H]1CCC(CO)O[C@H]1O[C@H]1CCO1.
What is the InChIKey of [(5R,6S)-5-methyl-6-[(2S)-oxetan-2-yl]oxyoxan-2-yl]methanol?
The InChIKey is XMCFFHLJSXZXLI-ITRGKUQCSA-N. The full InChI is InChI=1S/C10H18O4/c1-7-2-3-8(6-11)13-10(7)14-9-4-5-12-9/h7-11H,2-6H2,1H3/t7-,8?,9+,10+/m1/s1.
What are the key properties of [(5R,6S)-5-methyl-6-[(2S)-oxetan-2-yl]oxyoxan-2-yl]methanol?
[(5R,6S)-5-methyl-6-[(2S)-oxetan-2-yl]oxyoxan-2-yl]methanol has a molecular weight of 202.25 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R,6S)-5-methyl-6-[(2S)-oxetan-2-yl]oxyoxan-2-yl]methanol is sourced from PubChem (CID 70806162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).