1,5-dimethoxy-3-[[4-methoxy-2,2-bis(2-methoxyethyl)butoxy]methyl]-3-(2-methoxyethyl)pentane

C22H46O7 — CID 58757996

IUPAC1,5-dimethoxy-3-[[4-methoxy-2,2-bis(2-methoxyethyl)butoxy]methyl]-3-(2-methoxyethyl)pentane
SMILESCOCCC(CCOC)(CCOC)COCC(CCOC)(CCOC)CCOC
InChIInChI=1S/C22H46O7/c1-23-13-7-21(8-14-24-2,9-15-25-3)19-29-20-22(10-16-26-4,11-17-27-5)12-18-28-6/h7-20H2,1-6H3
InChIKeyFTADKJYLLVZIAY-UHFFFAOYSA-N
MW422.60 g/mol
LogP3.19
Rot. Bonds22

About 1,5-dimethoxy-3-[[4-methoxy-2,2-bis(2-methoxyethyl)butoxy]methyl]-3-(2-methoxyethyl)pentane

1,5-dimethoxy-3-[[4-methoxy-2,2-bis(2-methoxyethyl)butoxy]methyl]-3-(2-methoxyethyl)pentane (PubChem CID 58757996) has the molecular formula C22H46O7 and a molecular weight of 422.60 g/mol. Its IUPAC name is 1,5-dimethoxy-3-[[4-methoxy-2,2-bis(2-methoxyethyl)butoxy]methyl]-3-(2-methoxyethyl)pentane.

Molecular Properties

Compound Name1,5-dimethoxy-3-[[4-methoxy-2,2-bis(2-methoxyethyl)butoxy]methyl]-3-(2-methoxyethyl)pentane
PubChem CID58757996
Molecular FormulaC22H46O7
Molecular Weight422.60 g/mol
Exact Mass422.32
IUPAC Name1,5-dimethoxy-3-[[4-methoxy-2,2-bis(2-methoxyethyl)butoxy]methyl]-3-(2-methoxyethyl)pentane
SMILESCOCCC(CCOC)(CCOC)COCC(CCOC)(CCOC)CCOC
InChIInChI=1S/C22H46O7/c1-23-13-7-21(8-14-24-2,9-15-25-3)19-29-20-22(10-16-26-4,11-17-27-5)12-18-28-6/h7-20H2,1-6H3
InChIKeyFTADKJYLLVZIAY-UHFFFAOYSA-N
XLogP3.19
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds22
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.60
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1,5-dimethoxy-3-[[4-methoxy-2,2-bis(2-methoxyethyl)butoxy]methyl]-3-(2-methoxyethyl)pentane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,5-dimethoxy-3-(2-methoxyethyl)pentan-3-ol
CID 54443930
1-methoxy-6-[3-(3-methoxypropoxy)-2,2-bis(3-methoxypropoxymethyl)propoxy]hexane
CID 156683117
1,3-dimethoxy-2,2-bis(methoxymethyl)propane;1,3-dimethoxy-2-[[3-methoxy-2,2-bis(methoxymethyl)propoxy]methyl]-2-(methoxymethyl)propane;1,3-dimethoxy-2-(methoxymethyl)propane
CID 158311699
1,3-bis(3-methoxypropoxy)-2,2-bis(3-methoxypropoxymethyl)propane;ethane;sulfane
CID 153349276
1-ethoxy-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2,2-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]propane
CID 123158943
ethane;1-methoxy-3,3-dimethylbutane
CID 143141249
1,1,1,3-tetramethoxypropane
CID 10920853
1,4-bis[2-(3-methylbutoxy)ethoxy]-2-[2-(3-methylbutoxy)ethoxymethyl]-2-[[4-[2-(3-methylbutoxy)ethoxy]-2-[2-[2-(3-methylbutoxy)ethoxy]ethoxymethyl]-2-[2-(3-methylbutoxy)ethoxymethyl]butoxy]methyl]butane
CID 166562519
1-chloro-2-(chloromethyl)-3-methoxy-2-(2-methoxyethoxymethyl)propane
CID 19858274
3-methoxy-2-[[3-methoxy-2-[[3-methoxy-2,2-bis(methoxymethyl)propoxy]methyl]-2-(methoxymethyl)propoxy]methyl]-2-(methoxymethyl)propan-1-ol
CID 170224357
1-ethenoxy-3-(2-methoxyethoxy)-2,2-bis(2-methoxyethoxymethyl)propane
CID 159060039
1,5-dimethoxy-3-methylpentan-3-amine
CID 114997128

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethoxy-3-[[4-methoxy-2,2-bis(2-methoxyethyl)butoxy]methyl]-3-(2-methoxyethyl)pentane?
The IUPAC name of 1,5-dimethoxy-3-[[4-methoxy-2,2-bis(2-methoxyethyl)butoxy]methyl]-3-(2-methoxyethyl)pentane (CID 58757996) is 1,5-dimethoxy-3-[[4-methoxy-2,2-bis(2-methoxyethyl)butoxy]methyl]-3-(2-methoxyethyl)pentane.
What is the SMILES notation for 1,5-dimethoxy-3-[[4-methoxy-2,2-bis(2-methoxyethyl)butoxy]methyl]-3-(2-methoxyethyl)pentane?
The canonical SMILES for 1,5-dimethoxy-3-[[4-methoxy-2,2-bis(2-methoxyethyl)butoxy]methyl]-3-(2-methoxyethyl)pentane is COCCC(CCOC)(CCOC)COCC(CCOC)(CCOC)CCOC.
What is the InChIKey of 1,5-dimethoxy-3-[[4-methoxy-2,2-bis(2-methoxyethyl)butoxy]methyl]-3-(2-methoxyethyl)pentane?
The InChIKey is FTADKJYLLVZIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46O7/c1-23-13-7-21(8-14-24-2,9-15-25-3)19-29-20-22(10-16-26-4,11-17-27-5)12-18-28-6/h7-20H2,1-6H3.
What are the key properties of 1,5-dimethoxy-3-[[4-methoxy-2,2-bis(2-methoxyethyl)butoxy]methyl]-3-(2-methoxyethyl)pentane?
1,5-dimethoxy-3-[[4-methoxy-2,2-bis(2-methoxyethyl)butoxy]methyl]-3-(2-methoxyethyl)pentane has a molecular weight of 422.60 g/mol, XLogP of 3.19, 22 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethoxy-3-[[4-methoxy-2,2-bis(2-methoxyethyl)butoxy]methyl]-3-(2-methoxyethyl)pentane is sourced from PubChem (CID 58757996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).