4-[3-(methoxymethoxy)propoxy]butane-1,2,3-triol

C9H20O6 — CID 71369037

IUPAC4-[3-(methoxymethoxy)propoxy]butane-1,2,3-triol
SMILESCOCOCCCOCC(O)C(O)CO
InChIInChI=1S/C9H20O6/c1-13-7-15-4-2-3-14-6-9(12)8(11)5-10/h8-12H,2-7H2,1H3
InChIKeyJOFSSNITBRCVFT-UHFFFAOYSA-N
MW224.25 g/mol
LogP-1.27
Rot. Bonds10

About 4-[3-(methoxymethoxy)propoxy]butane-1,2,3-triol

4-[3-(methoxymethoxy)propoxy]butane-1,2,3-triol (PubChem CID 71369037) has the molecular formula C9H20O6 and a molecular weight of 224.25 g/mol. Its IUPAC name is 4-[3-(methoxymethoxy)propoxy]butane-1,2,3-triol.

Molecular Properties

Compound Name4-[3-(methoxymethoxy)propoxy]butane-1,2,3-triol
PubChem CID71369037
Molecular FormulaC9H20O6
Molecular Weight224.25 g/mol
Exact Mass224.13
IUPAC Name4-[3-(methoxymethoxy)propoxy]butane-1,2,3-triol
SMILESCOCOCCCOCC(O)C(O)CO
InChIInChI=1S/C9H20O6/c1-13-7-15-4-2-3-14-6-9(12)8(11)5-10/h8-12H,2-7H2,1H3
InChIKeyJOFSSNITBRCVFT-UHFFFAOYSA-N
XLogP-1.27
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 5-1.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

7-(methoxymethoxy)heptan-1-ol
CID 102354620
6-[16-(2,3,4,5,6-pentahydroxyhexoxy)hexadecoxy]hexane-1,2,3,4,5-pentol
CID 550069
(2R,3S)-4-(3,5-dihydroxypentoxy)butane-1,2,3-triol
CID 175479329
6-(2-hydroxyethoxy)hexane-1,2,3,4,5-pentol
CID 22287921
(2R,3R,4R,5R)-6-methoxyhexane-1,2,3,4,5-pentol
CID 18653298
2-amino-3-[2-(3-methoxypropoxy)ethoxy]propan-1-ol
CID 103181539
1-methoxy-3-[3-(2-methoxyethoxy)propoxy]propan-2-ol
CID 107508453
(2S)-1-[2-(3-methoxypropoxy)ethoxy]propan-2-ol
CID 103179631
3-[2,5,6-trihydroxy-3,4-bis[3-(2-oxobutanoyloxy)propoxy]hexoxy]propyl 2-oxobutanoate
CID 56987618
(2R,3R,4R,5S)-6-(11-sulfanylundecoxy)hexane-1,2,3,4,5-pentol
CID 101466075
(2R,3S)-4-[2-methoxyethyl-[(2S,3R)-2,3,4-trihydroxybutyl]amino]butane-1,2,3-triol
CID 122500925
1-pentoxyoctane-2,3-diol
CID 88758443

Frequently Asked Questions

What is the IUPAC name of 4-[3-(methoxymethoxy)propoxy]butane-1,2,3-triol?
The IUPAC name of 4-[3-(methoxymethoxy)propoxy]butane-1,2,3-triol (CID 71369037) is 4-[3-(methoxymethoxy)propoxy]butane-1,2,3-triol.
What is the SMILES notation for 4-[3-(methoxymethoxy)propoxy]butane-1,2,3-triol?
The canonical SMILES for 4-[3-(methoxymethoxy)propoxy]butane-1,2,3-triol is COCOCCCOCC(O)C(O)CO.
What is the InChIKey of 4-[3-(methoxymethoxy)propoxy]butane-1,2,3-triol?
The InChIKey is JOFSSNITBRCVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O6/c1-13-7-15-4-2-3-14-6-9(12)8(11)5-10/h8-12H,2-7H2,1H3.
What are the key properties of 4-[3-(methoxymethoxy)propoxy]butane-1,2,3-triol?
4-[3-(methoxymethoxy)propoxy]butane-1,2,3-triol has a molecular weight of 224.25 g/mol, XLogP of -1.27, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(methoxymethoxy)propoxy]butane-1,2,3-triol is sourced from PubChem (CID 71369037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).