1-[[(2S,3S,4R)-4-(1-hydroxy-2-methoxyethoxy)-3-methyloxolan-2-yl]methoxy]-2-methoxyethanol

C12H24O7 — CID 166083245

IUPAC1-[[(2S,3S,4R)-4-(1-hydroxy-2-methoxyethoxy)-3-methyloxolan-2-yl]methoxy]-2-methoxyethanol
SMILESCOCC(O)OC[C@H]1OC[C@H](OC(O)COC)[C@H]1C
InChIInChI=1S/C12H24O7/c1-8-9(4-18-11(13)6-15-2)17-5-10(8)19-12(14)7-16-3/h8-14H,4-7H2,1-3H3/t8-,9+,10-,11?,12?/m0/s1
InChIKeyJFZGJEWHPMOJRH-IDSCEKSVSA-N
MW280.32 g/mol
LogP-0.65
Rot. Bonds9

About 1-[[(2S,3S,4R)-4-(1-hydroxy-2-methoxyethoxy)-3-methyloxolan-2-yl]methoxy]-2-methoxyethanol

1-[[(2S,3S,4R)-4-(1-hydroxy-2-methoxyethoxy)-3-methyloxolan-2-yl]methoxy]-2-methoxyethanol (PubChem CID 166083245) has the molecular formula C12H24O7 and a molecular weight of 280.32 g/mol. Its IUPAC name is 1-[[(2S,3S,4R)-4-(1-hydroxy-2-methoxyethoxy)-3-methyloxolan-2-yl]methoxy]-2-methoxyethanol.

Molecular Properties

Compound Name1-[[(2S,3S,4R)-4-(1-hydroxy-2-methoxyethoxy)-3-methyloxolan-2-yl]methoxy]-2-methoxyethanol
PubChem CID166083245
Molecular FormulaC12H24O7
Molecular Weight280.32 g/mol
Exact Mass280.15
IUPAC Name1-[[(2S,3S,4R)-4-(1-hydroxy-2-methoxyethoxy)-3-methyloxolan-2-yl]methoxy]-2-methoxyethanol
SMILESCOCC(O)OC[C@H]1OC[C@H](OC(O)COC)[C@H]1C
InChIInChI=1S/C12H24O7/c1-8-9(4-18-11(13)6-15-2)17-5-10(8)19-12(14)7-16-3/h8-14H,4-7H2,1-3H3/t8-,9+,10-,11?,12?/m0/s1
InChIKeyJFZGJEWHPMOJRH-IDSCEKSVSA-N
XLogP-0.65
TPSA86.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[(2S,3S,4R)-4-(1-hydroxy-2-methoxyethoxy)-3-methyloxolan-2-yl]methoxy]-2-methoxyethanol?
The IUPAC name of 1-[[(2S,3S,4R)-4-(1-hydroxy-2-methoxyethoxy)-3-methyloxolan-2-yl]methoxy]-2-methoxyethanol (CID 166083245) is 1-[[(2S,3S,4R)-4-(1-hydroxy-2-methoxyethoxy)-3-methyloxolan-2-yl]methoxy]-2-methoxyethanol.
What is the SMILES notation for 1-[[(2S,3S,4R)-4-(1-hydroxy-2-methoxyethoxy)-3-methyloxolan-2-yl]methoxy]-2-methoxyethanol?
The canonical SMILES for 1-[[(2S,3S,4R)-4-(1-hydroxy-2-methoxyethoxy)-3-methyloxolan-2-yl]methoxy]-2-methoxyethanol is COCC(O)OC[C@H]1OC[C@H](OC(O)COC)[C@H]1C.
What is the InChIKey of 1-[[(2S,3S,4R)-4-(1-hydroxy-2-methoxyethoxy)-3-methyloxolan-2-yl]methoxy]-2-methoxyethanol?
The InChIKey is JFZGJEWHPMOJRH-IDSCEKSVSA-N. The full InChI is InChI=1S/C12H24O7/c1-8-9(4-18-11(13)6-15-2)17-5-10(8)19-12(14)7-16-3/h8-14H,4-7H2,1-3H3/t8-,9+,10-,11?,12?/m0/s1.
What are the key properties of 1-[[(2S,3S,4R)-4-(1-hydroxy-2-methoxyethoxy)-3-methyloxolan-2-yl]methoxy]-2-methoxyethanol?
1-[[(2S,3S,4R)-4-(1-hydroxy-2-methoxyethoxy)-3-methyloxolan-2-yl]methoxy]-2-methoxyethanol has a molecular weight of 280.32 g/mol, XLogP of -0.65, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2S,3S,4R)-4-(1-hydroxy-2-methoxyethoxy)-3-methyloxolan-2-yl]methoxy]-2-methoxyethanol is sourced from PubChem (CID 166083245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).