1,1,2,3-tetramethoxybutane-1,2,3-triol

C8H18O7 — CID 141184613

IUPAC1,1,2,3-tetramethoxybutane-1,2,3-triol
SMILESCOC(C)(O)C(O)(OC)C(O)(OC)OC
InChIInChI=1S/C8H18O7/c1-6(9,12-2)7(10,13-3)8(11,14-4)15-5/h9-11H,1-5H3
InChIKeyFJZSFEKBJLSPPJ-UHFFFAOYSA-N
MW226.22 g/mol
LogP-1.38
Rot. Bonds6

About 1,1,2,3-tetramethoxybutane-1,2,3-triol

1,1,2,3-tetramethoxybutane-1,2,3-triol (PubChem CID 141184613) has the molecular formula C8H18O7 and a molecular weight of 226.22 g/mol. Its IUPAC name is 1,1,2,3-tetramethoxybutane-1,2,3-triol.

Molecular Properties

Compound Name1,1,2,3-tetramethoxybutane-1,2,3-triol
PubChem CID141184613
Molecular FormulaC8H18O7
Molecular Weight226.22 g/mol
Exact Mass226.11
IUPAC Name1,1,2,3-tetramethoxybutane-1,2,3-triol
SMILESCOC(C)(O)C(O)(OC)C(O)(OC)OC
InChIInChI=1S/C8H18O7/c1-6(9,12-2)7(10,13-3)8(11,14-4)15-5/h9-11H,1-5H3
InChIKeyFJZSFEKBJLSPPJ-UHFFFAOYSA-N
XLogP-1.38
TPSA97.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.22
LogP ≤ 5-1.38
H-Bond Donors ≤ 53
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 1,1,2,3-tetramethoxybutane-1,2,3-triol?
The IUPAC name of 1,1,2,3-tetramethoxybutane-1,2,3-triol (CID 141184613) is 1,1,2,3-tetramethoxybutane-1,2,3-triol.
What is the SMILES notation for 1,1,2,3-tetramethoxybutane-1,2,3-triol?
The canonical SMILES for 1,1,2,3-tetramethoxybutane-1,2,3-triol is COC(C)(O)C(O)(OC)C(O)(OC)OC.
What is the InChIKey of 1,1,2,3-tetramethoxybutane-1,2,3-triol?
The InChIKey is FJZSFEKBJLSPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O7/c1-6(9,12-2)7(10,13-3)8(11,14-4)15-5/h9-11H,1-5H3.
What are the key properties of 1,1,2,3-tetramethoxybutane-1,2,3-triol?
1,1,2,3-tetramethoxybutane-1,2,3-triol has a molecular weight of 226.22 g/mol, XLogP of -1.38, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3-tetramethoxybutane-1,2,3-triol is sourced from PubChem (CID 141184613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).