1-(3-hydroxy-1-methoxypropoxy)-3-methoxypropane-1,3-diol

C8H18O6 — CID 175535859

IUPAC1-(3-hydroxy-1-methoxypropoxy)-3-methoxypropane-1,3-diol
SMILESCOC(O)CC(O)OC(CCO)OC
InChIInChI=1S/C8H18O6/c1-12-6(10)5-7(11)14-8(13-2)3-4-9/h6-11H,3-5H2,1-2H3
InChIKeyZOMGLBAKWZNEFI-UHFFFAOYSA-N
MW210.23 g/mol
LogP-0.97
Rot. Bonds8

About 1-(3-hydroxy-1-methoxypropoxy)-3-methoxypropane-1,3-diol

1-(3-hydroxy-1-methoxypropoxy)-3-methoxypropane-1,3-diol (PubChem CID 175535859) has the molecular formula C8H18O6 and a molecular weight of 210.23 g/mol. Its IUPAC name is 1-(3-hydroxy-1-methoxypropoxy)-3-methoxypropane-1,3-diol.

Molecular Properties

Compound Name1-(3-hydroxy-1-methoxypropoxy)-3-methoxypropane-1,3-diol
PubChem CID175535859
Molecular FormulaC8H18O6
Molecular Weight210.23 g/mol
Exact Mass210.11
IUPAC Name1-(3-hydroxy-1-methoxypropoxy)-3-methoxypropane-1,3-diol
SMILESCOC(O)CC(O)OC(CCO)OC
InChIInChI=1S/C8H18O6/c1-12-6(10)5-7(11)14-8(13-2)3-4-9/h6-11H,3-5H2,1-2H3
InChIKeyZOMGLBAKWZNEFI-UHFFFAOYSA-N
XLogP-0.97
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 5-0.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[3-[3-[3-[3-(1,3-dihydroxy-3-methoxypropoxy)-1,3-dihydroxypropoxy]-1,3-dihydroxypropoxy]-1,3-dihydroxypropoxy]-1,3-dihydroxypropoxy]butane-1,3-diol
CID 23556407
5,5-dimethoxypentane-1,3-diol
CID 57301339
(2R,3R)-2-(2,2-dimethoxyethyl)pentane-1,3,5-triol
CID 10035953
3-amino-1-methoxybutane-1,4-diol
CID 143333753
magnesium;2,2-dimethoxyethanol;hydride
CID 174500323
ethane-1,2-diol;methoxymethanediol
CID 88839057
12,12-dimethoxydodecan-1-ol
CID 71412944
3-methoxy-3-phenoxypropan-1-ol
CID 119087893
1-(methoxymethoxy)propane-1,3-diol
CID 175692192
(1S,3R)-4-chloro-1,3-dimethoxybutan-1-ol
CID 97050424
ethane;bis(1-methoxybutan-1-ol)
CID 144737274
CID 59090951
CID 59090951

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-1-methoxypropoxy)-3-methoxypropane-1,3-diol?
The IUPAC name of 1-(3-hydroxy-1-methoxypropoxy)-3-methoxypropane-1,3-diol (CID 175535859) is 1-(3-hydroxy-1-methoxypropoxy)-3-methoxypropane-1,3-diol.
What is the SMILES notation for 1-(3-hydroxy-1-methoxypropoxy)-3-methoxypropane-1,3-diol?
The canonical SMILES for 1-(3-hydroxy-1-methoxypropoxy)-3-methoxypropane-1,3-diol is COC(O)CC(O)OC(CCO)OC.
What is the InChIKey of 1-(3-hydroxy-1-methoxypropoxy)-3-methoxypropane-1,3-diol?
The InChIKey is ZOMGLBAKWZNEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O6/c1-12-6(10)5-7(11)14-8(13-2)3-4-9/h6-11H,3-5H2,1-2H3.
What are the key properties of 1-(3-hydroxy-1-methoxypropoxy)-3-methoxypropane-1,3-diol?
1-(3-hydroxy-1-methoxypropoxy)-3-methoxypropane-1,3-diol has a molecular weight of 210.23 g/mol, XLogP of -0.97, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-1-methoxypropoxy)-3-methoxypropane-1,3-diol is sourced from PubChem (CID 175535859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).