1,2,5-trimethoxy-3-(methoxymethyl)pentane

C10H22O4 — CID 154114717

IUPAC1,2,5-trimethoxy-3-(methoxymethyl)pentane
SMILESCOCCC(COC)C(COC)OC
InChIInChI=1S/C10H22O4/c1-11-6-5-9(7-12-2)10(14-4)8-13-3/h9-10H,5-8H2,1-4H3
InChIKeyUJAWHTIKHUOKLB-UHFFFAOYSA-N
MW206.28 g/mol
LogP0.95
Rot. Bonds9

About 1,2,5-trimethoxy-3-(methoxymethyl)pentane

1,2,5-trimethoxy-3-(methoxymethyl)pentane (PubChem CID 154114717) has the molecular formula C10H22O4 and a molecular weight of 206.28 g/mol. Its IUPAC name is 1,2,5-trimethoxy-3-(methoxymethyl)pentane.

Molecular Properties

Compound Name1,2,5-trimethoxy-3-(methoxymethyl)pentane
PubChem CID154114717
Molecular FormulaC10H22O4
Molecular Weight206.28 g/mol
Exact Mass206.15
IUPAC Name1,2,5-trimethoxy-3-(methoxymethyl)pentane
SMILESCOCCC(COC)C(COC)OC
InChIInChI=1S/C10H22O4/c1-11-6-5-9(7-12-2)10(14-4)8-13-3/h9-10H,5-8H2,1-4H3
InChIKeyUJAWHTIKHUOKLB-UHFFFAOYSA-N
XLogP0.95
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Arabitol permethyl
CID 529415
(2S,4R)-1,2,3,4,5-pentamethoxypentane
CID 90120509
3-Ethyl-1,2-dimethoxypentane
CID 18398351
4-(2-Hydroxyethoxy)-3-(3-hydroxy-2-methylpropoxy)-2-(2-methoxyethyl)butan-1-ol
CID 20709946
1,2-Diethoxy-3-(ethoxymethyl)pentane
CID 21051621
2-[[3-(Methoxymethyl)oxolan-2-yl]methoxymethyl]-1,4-dioxane
CID 53663071
1-Ethoxy-3-(1-hydroxy-2-methoxyethyl)-5-methoxypentane-2,4-diol
CID 56976307
2-(1,2-Diethoxyethyl)-2-(ethoxymethyl)oxetane
CID 59017146
1,5-Bis(2-methoxyethoxy)-3-(2-methoxyethoxymethyl)pentane
CID 59118349
5-Butoxy-3-(1-hydroxyethyl)pentane-1,2,4-triol
CID 88037817
13-Methyl-1,4,7,10-tetraoxacyclopentadecane
CID 89291115
(3R,4S)-2,5-dibutoxy-3-methylpentane-1,4-diol
CID 89332498

Frequently Asked Questions

What is the IUPAC name of 1,2,5-trimethoxy-3-(methoxymethyl)pentane?
The IUPAC name of 1,2,5-trimethoxy-3-(methoxymethyl)pentane (CID 154114717) is 1,2,5-trimethoxy-3-(methoxymethyl)pentane.
What is the SMILES notation for 1,2,5-trimethoxy-3-(methoxymethyl)pentane?
The canonical SMILES for 1,2,5-trimethoxy-3-(methoxymethyl)pentane is COCCC(COC)C(COC)OC.
What is the InChIKey of 1,2,5-trimethoxy-3-(methoxymethyl)pentane?
The InChIKey is UJAWHTIKHUOKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O4/c1-11-6-5-9(7-12-2)10(14-4)8-13-3/h9-10H,5-8H2,1-4H3.
What are the key properties of 1,2,5-trimethoxy-3-(methoxymethyl)pentane?
1,2,5-trimethoxy-3-(methoxymethyl)pentane has a molecular weight of 206.28 g/mol, XLogP of 0.95, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5-trimethoxy-3-(methoxymethyl)pentane is sourced from PubChem (CID 154114717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).