[(2R,4R)-3-[(2-methylpropan-2-yl)oxy]-4-prop-2-ynoxyoxolan-2-yl]methanol

C12H20O4 — CID 177296818

IUPAC[(2R,4R)-3-[(2-methylpropan-2-yl)oxy]-4-prop-2-ynoxyoxolan-2-yl]methanol
SMILESC#CCO[C@@H]1CO[C@H](CO)C1OC(C)(C)C
InChIInChI=1S/C12H20O4/c1-5-6-14-10-8-15-9(7-13)11(10)16-12(2,3)4/h1,9-11,13H,6-8H2,2-4H3/t9-,10-,11?/m1/s1
InChIKeyFYQIXXXROGMFGF-DIOIDXFWSA-N
MW228.29 g/mol
LogP0.58
Rot. Bonds4

About [(2R,4R)-3-[(2-methylpropan-2-yl)oxy]-4-prop-2-ynoxyoxolan-2-yl]methanol

[(2R,4R)-3-[(2-methylpropan-2-yl)oxy]-4-prop-2-ynoxyoxolan-2-yl]methanol (PubChem CID 177296818) has the molecular formula C12H20O4 and a molecular weight of 228.29 g/mol. Its IUPAC name is [(2R,4R)-3-[(2-methylpropan-2-yl)oxy]-4-prop-2-ynoxyoxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2R,4R)-3-[(2-methylpropan-2-yl)oxy]-4-prop-2-ynoxyoxolan-2-yl]methanol
PubChem CID177296818
Molecular FormulaC12H20O4
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC Name[(2R,4R)-3-[(2-methylpropan-2-yl)oxy]-4-prop-2-ynoxyoxolan-2-yl]methanol
SMILESC#CCO[C@@H]1CO[C@H](CO)C1OC(C)(C)C
InChIInChI=1S/C12H20O4/c1-5-6-14-10-8-15-9(7-13)11(10)16-12(2,3)4/h1,9-11,13H,6-8H2,2-4H3/t9-,10-,11?/m1/s1
InChIKeyFYQIXXXROGMFGF-DIOIDXFWSA-N
XLogP0.58
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2R,4R)-3-[(2-methylpropan-2-yl)oxy]-4-prop-2-ynoxyoxolan-2-yl]methanol?
The IUPAC name of [(2R,4R)-3-[(2-methylpropan-2-yl)oxy]-4-prop-2-ynoxyoxolan-2-yl]methanol (CID 177296818) is [(2R,4R)-3-[(2-methylpropan-2-yl)oxy]-4-prop-2-ynoxyoxolan-2-yl]methanol.
What is the SMILES notation for [(2R,4R)-3-[(2-methylpropan-2-yl)oxy]-4-prop-2-ynoxyoxolan-2-yl]methanol?
The canonical SMILES for [(2R,4R)-3-[(2-methylpropan-2-yl)oxy]-4-prop-2-ynoxyoxolan-2-yl]methanol is C#CCO[C@@H]1CO[C@H](CO)C1OC(C)(C)C.
What is the InChIKey of [(2R,4R)-3-[(2-methylpropan-2-yl)oxy]-4-prop-2-ynoxyoxolan-2-yl]methanol?
The InChIKey is FYQIXXXROGMFGF-DIOIDXFWSA-N. The full InChI is InChI=1S/C12H20O4/c1-5-6-14-10-8-15-9(7-13)11(10)16-12(2,3)4/h1,9-11,13H,6-8H2,2-4H3/t9-,10-,11?/m1/s1.
What are the key properties of [(2R,4R)-3-[(2-methylpropan-2-yl)oxy]-4-prop-2-ynoxyoxolan-2-yl]methanol?
[(2R,4R)-3-[(2-methylpropan-2-yl)oxy]-4-prop-2-ynoxyoxolan-2-yl]methanol has a molecular weight of 228.29 g/mol, XLogP of 0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4R)-3-[(2-methylpropan-2-yl)oxy]-4-prop-2-ynoxyoxolan-2-yl]methanol is sourced from PubChem (CID 177296818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).