1,2,3,4,5-pentakis(2-methoxyethoxy)pentane

C20H42O10 — CID 22886701

IUPAC1,2,3,4,5-pentakis(2-methoxyethoxy)pentane
SMILESCOCCOCC(OCCOC)C(OCCOC)C(COCCOC)OCCOC
InChIInChI=1S/C20H42O10/c1-21-6-11-26-16-18(28-13-8-23-3)20(30-15-10-25-5)19(29-14-9-24-4)17-27-12-7-22-2/h18-20H,6-17H2,1-5H3
InChIKeyROSOFJIWZPWCBW-UHFFFAOYSA-N
MW442.55 g/mol
LogP0.41
Rot. Bonds24

About 1,2,3,4,5-pentakis(2-methoxyethoxy)pentane

1,2,3,4,5-pentakis(2-methoxyethoxy)pentane (PubChem CID 22886701) has the molecular formula C20H42O10 and a molecular weight of 442.55 g/mol. Its IUPAC name is 1,2,3,4,5-pentakis(2-methoxyethoxy)pentane.

Molecular Properties

Compound Name1,2,3,4,5-pentakis(2-methoxyethoxy)pentane
PubChem CID22886701
Molecular FormulaC20H42O10
Molecular Weight442.55 g/mol
Exact Mass442.28
IUPAC Name1,2,3,4,5-pentakis(2-methoxyethoxy)pentane
SMILESCOCCOCC(OCCOC)C(OCCOC)C(COCCOC)OCCOC
InChIInChI=1S/C20H42O10/c1-21-6-11-26-16-18(28-13-8-23-3)20(30-15-10-25-5)19(29-14-9-24-4)17-27-12-7-22-2/h18-20H,6-17H2,1-5H3
InChIKeyROSOFJIWZPWCBW-UHFFFAOYSA-N
XLogP0.41
TPSA92.30 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds24
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.55
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 6428066
3,4-Dimethoxy-2-(methoxymethyl)oxolane
CID 526629
Arabitol permethyl
CID 529415
(2R,5S)-3,4-dibutoxy-2-(butoxymethyl)-5-fluorooxolane
CID 122468667
(2S,4R)-1,2,3,4,5-pentamethoxypentane
CID 90120509
2-(1,4,7,10,13-Pentaoxacyclopentadec-2-yl)-1,4,7,10,13-pentaoxacyclopentadecane
CID 552595
Tetracosahydro-1,4,7,10,13,16-hexaoxacyclooctadeca[2,3-R]1,4,7,10,13,16-hexaoxacycloicosane
CID 14004848
3,6,9,12,15,18,21,24,27,30-Decaoxabicyclo[15.13.0]triacontane
CID 552593
2-(1,4,7,10,13,16-Hexaoxacyclooctadec-2-yl)-1,4,7,10,13,16-hexaoxacyclooctadecane
CID 552612
(2S,2'S)-2,2'-Bis[1,4,7,10,13-pentaoxacyclopentadecane]
CID 13129323
(1S,17S)-3,6,9,12,15,18,21,24,27,30-Decaoxabicyclo[15.13.0]triacontane
CID 13129325
(1S,1'S)-1,1'-Bis[2,5,8,11,14,17-hexaoxacyclooctadecane]
CID 13358983

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5-pentakis(2-methoxyethoxy)pentane?
The IUPAC name of 1,2,3,4,5-pentakis(2-methoxyethoxy)pentane (CID 22886701) is 1,2,3,4,5-pentakis(2-methoxyethoxy)pentane.
What is the SMILES notation for 1,2,3,4,5-pentakis(2-methoxyethoxy)pentane?
The canonical SMILES for 1,2,3,4,5-pentakis(2-methoxyethoxy)pentane is COCCOCC(OCCOC)C(OCCOC)C(COCCOC)OCCOC.
What is the InChIKey of 1,2,3,4,5-pentakis(2-methoxyethoxy)pentane?
The InChIKey is ROSOFJIWZPWCBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42O10/c1-21-6-11-26-16-18(28-13-8-23-3)20(30-15-10-25-5)19(29-14-9-24-4)17-27-12-7-22-2/h18-20H,6-17H2,1-5H3.
What are the key properties of 1,2,3,4,5-pentakis(2-methoxyethoxy)pentane?
1,2,3,4,5-pentakis(2-methoxyethoxy)pentane has a molecular weight of 442.55 g/mol, XLogP of 0.41, 24 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5-pentakis(2-methoxyethoxy)pentane is sourced from PubChem (CID 22886701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).