2,3,4-trimethoxyhexane-1,5-diol

C9H20O5 — CID 71440340

IUPAC2,3,4-trimethoxyhexane-1,5-diol
SMILESCOC(CO)C(OC)C(OC)C(C)O
InChIInChI=1S/C9H20O5/c1-6(11)8(13-3)9(14-4)7(5-10)12-2/h6-11H,5H2,1-4H3
InChIKeyWVZJLXSDXMPTLB-UHFFFAOYSA-N
MW208.25 g/mol
LogP-0.60
Rot. Bonds7

About 2,3,4-trimethoxyhexane-1,5-diol

2,3,4-trimethoxyhexane-1,5-diol (PubChem CID 71440340) has the molecular formula C9H20O5 and a molecular weight of 208.25 g/mol. Its IUPAC name is 2,3,4-trimethoxyhexane-1,5-diol.

Molecular Properties

Compound Name2,3,4-trimethoxyhexane-1,5-diol
PubChem CID71440340
Molecular FormulaC9H20O5
Molecular Weight208.25 g/mol
Exact Mass208.13
IUPAC Name2,3,4-trimethoxyhexane-1,5-diol
SMILESCOC(CO)C(OC)C(OC)C(C)O
InChIInChI=1S/C9H20O5/c1-6(11)8(13-3)9(14-4)7(5-10)12-2/h6-11H,5H2,1-4H3
InChIKeyWVZJLXSDXMPTLB-UHFFFAOYSA-N
XLogP-0.60
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.25
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3R)-2,3-dimethoxybutane-1,4-diol
CID 119097957
(2S,3S)-2,3-dimethoxybutan-1-ol
CID 130624159
5-hydroxy-2,3,4-trimethoxypentanal
CID 14194048
4-methoxyhexane-1,2,5-triol
CID 18427201
(2R,3R)-4-methoxypentane-1,2,3,5-tetrol
CID 89370053
(2S,3S,4R,5R,6R,7S,8S)-9-methoxy-2,4,6,8-tetramethyldecane-1,3,5,7,10-pentol
CID 134878459
(3S,4R,5S,6R)-3,4,5,6-tetramethoxyoctane
CID 59693568
(2R)-2-(methoxymethoxy)butane-1,3-diol
CID 87662516
(1,6-dihydroxy-4,5-dimethoxyhexan-3-yl) acetate
CID 168951553
methoxymethane;propane-1,2-diol
CID 23435252
(2R,3R,4R,5R)-4-methoxyhexane-1,2,3,5,6-pentol
CID 22214433
(2S,3R,4R)-3-methoxyheptane-2,4-diol
CID 10012212

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethoxyhexane-1,5-diol?
The IUPAC name of 2,3,4-trimethoxyhexane-1,5-diol (CID 71440340) is 2,3,4-trimethoxyhexane-1,5-diol.
What is the SMILES notation for 2,3,4-trimethoxyhexane-1,5-diol?
The canonical SMILES for 2,3,4-trimethoxyhexane-1,5-diol is COC(CO)C(OC)C(OC)C(C)O.
What is the InChIKey of 2,3,4-trimethoxyhexane-1,5-diol?
The InChIKey is WVZJLXSDXMPTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O5/c1-6(11)8(13-3)9(14-4)7(5-10)12-2/h6-11H,5H2,1-4H3.
What are the key properties of 2,3,4-trimethoxyhexane-1,5-diol?
2,3,4-trimethoxyhexane-1,5-diol has a molecular weight of 208.25 g/mol, XLogP of -0.60, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethoxyhexane-1,5-diol is sourced from PubChem (CID 71440340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).