4-[4-(2,3-dimethoxypropoxy)-2-methoxy-4-methylhexoxy]-1,2-dimethoxy-4-methylhexane

C22H46O7 — CID 90159958

IUPAC4-[4-(2,3-dimethoxypropoxy)-2-methoxy-4-methylhexoxy]-1,2-dimethoxy-4-methylhexane
SMILESCCC(C)(CC(COC)OC)OCC(CC(C)(CC)OCC(COC)OC)OC
InChIInChI=1S/C22H46O7/c1-10-21(3,12-18(25-7)14-23-5)28-16-19(26-8)13-22(4,11-2)29-17-20(27-9)15-24-6/h18-20H,10-17H2,1-9H3
InChIKeyJOAALDMLUWEUTL-UHFFFAOYSA-N
MW422.60 g/mol
LogP3.47
Rot. Bonds19

About 4-[4-(2,3-dimethoxypropoxy)-2-methoxy-4-methylhexoxy]-1,2-dimethoxy-4-methylhexane

4-[4-(2,3-dimethoxypropoxy)-2-methoxy-4-methylhexoxy]-1,2-dimethoxy-4-methylhexane (PubChem CID 90159958) has the molecular formula C22H46O7 and a molecular weight of 422.60 g/mol. Its IUPAC name is 4-[4-(2,3-dimethoxypropoxy)-2-methoxy-4-methylhexoxy]-1,2-dimethoxy-4-methylhexane.

Molecular Properties

Compound Name4-[4-(2,3-dimethoxypropoxy)-2-methoxy-4-methylhexoxy]-1,2-dimethoxy-4-methylhexane
PubChem CID90159958
Molecular FormulaC22H46O7
Molecular Weight422.60 g/mol
Exact Mass422.32
IUPAC Name4-[4-(2,3-dimethoxypropoxy)-2-methoxy-4-methylhexoxy]-1,2-dimethoxy-4-methylhexane
SMILESCCC(C)(CC(COC)OC)OCC(CC(C)(CC)OCC(COC)OC)OC
InChIInChI=1S/C22H46O7/c1-10-21(3,12-18(25-7)14-23-5)28-16-19(26-8)13-22(4,11-2)29-17-20(27-9)15-24-6/h18-20H,10-17H2,1-9H3
InChIKeyJOAALDMLUWEUTL-UHFFFAOYSA-N
XLogP3.47
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds19
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.60
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1,2-dimethoxy-4,4-dimethylpentane
CID 59679444
2,4-dimethoxy-4-methyl-1-[(2-methylpropan-2-yl)oxy]pentane
CID 129163644
tert-butyl N-[2-(2,3-dimethoxypropoxy)-3-iodo-2-methylpropyl]carbamate
CID 165489670
1,2,5,6-tetramethoxyhexane
CID 18679814
1,2-dimethoxypentane
CID 22961171
2-methyl-2-(2-methylpropoxy)butan-1-amine
CID 62355442
1,2-dimethoxybutane;1,2-dimethoxypropane
CID 91039470
1,2-dimethoxy-4-methylhexane
CID 123627097
1,2-dimethoxy-5,5-dimethylhexane
CID 154608131
1-methoxy-2-methyl-2-propoxybutane
CID 122692846
[(2R)-2,3-dimethoxypropyl] dihydrogen phosphate
CID 118688296
2-methoxy-4,6-dimethyl-4-propoxyheptane
CID 135038604

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,3-dimethoxypropoxy)-2-methoxy-4-methylhexoxy]-1,2-dimethoxy-4-methylhexane?
The IUPAC name of 4-[4-(2,3-dimethoxypropoxy)-2-methoxy-4-methylhexoxy]-1,2-dimethoxy-4-methylhexane (CID 90159958) is 4-[4-(2,3-dimethoxypropoxy)-2-methoxy-4-methylhexoxy]-1,2-dimethoxy-4-methylhexane.
What is the SMILES notation for 4-[4-(2,3-dimethoxypropoxy)-2-methoxy-4-methylhexoxy]-1,2-dimethoxy-4-methylhexane?
The canonical SMILES for 4-[4-(2,3-dimethoxypropoxy)-2-methoxy-4-methylhexoxy]-1,2-dimethoxy-4-methylhexane is CCC(C)(CC(COC)OC)OCC(CC(C)(CC)OCC(COC)OC)OC.
What is the InChIKey of 4-[4-(2,3-dimethoxypropoxy)-2-methoxy-4-methylhexoxy]-1,2-dimethoxy-4-methylhexane?
The InChIKey is JOAALDMLUWEUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46O7/c1-10-21(3,12-18(25-7)14-23-5)28-16-19(26-8)13-22(4,11-2)29-17-20(27-9)15-24-6/h18-20H,10-17H2,1-9H3.
What are the key properties of 4-[4-(2,3-dimethoxypropoxy)-2-methoxy-4-methylhexoxy]-1,2-dimethoxy-4-methylhexane?
4-[4-(2,3-dimethoxypropoxy)-2-methoxy-4-methylhexoxy]-1,2-dimethoxy-4-methylhexane has a molecular weight of 422.60 g/mol, XLogP of 3.47, 19 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,3-dimethoxypropoxy)-2-methoxy-4-methylhexoxy]-1,2-dimethoxy-4-methylhexane is sourced from PubChem (CID 90159958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).