1-[1,3-bis(2-methoxyethoxy)propan-2-yloxy]-2-[1,3-bis(2-methoxyethoxy)propan-2-yloxymethyl]-3,3-dimethylbutane;1-(1,3-dimethoxypropan-2-yloxy)-2-(1,3-dimethoxypropan-2-yloxymethyl)-3,3-dimethylbutane

C42H88O16 — CID 165060028

IUPAC1-[1,3-bis(2-methoxyethoxy)propan-2-yloxy]-2-[1,3-bis(2-methoxyethoxy)propan-2-yloxymethyl]-3,3-dimethylbutane;1-(1,3-dimethoxypropan-2-yloxy)-2-(1,3-dimethoxypropan-2-yloxymethyl)-3,3-dimethylbutane
SMILESCOCC(COC)OCC(COC(COC)COC)C(C)(C)C.COCCOCC(COCCOC)OCC(COC(COCCOC)COCCOC)C(C)(C)C
InChIInChI=1S/C25H52O10.C17H36O6/c1-25(2,3)22(16-34-23(18-30-12-8-26-4)19-31-13-9-27-5)17-35-24(20-32-14-10-28-6)21-33-15-11-29-7;1-17(2,3)14(8-22-15(10-18-4)11-19-5)9-23-16(12-20-6)13-21-7/h22-24H,8-21H2,1-7H3;14-16H,8-13H2,1-7H3
InChIKeyRAWBPPSXZFNOIV-UHFFFAOYSA-N
MW849.15 g/mol
LogP4.08
Rot. Bonds40

About 1-[1,3-bis(2-methoxyethoxy)propan-2-yloxy]-2-[1,3-bis(2-methoxyethoxy)propan-2-yloxymethyl]-3,3-dimethylbutane;1-(1,3-dimethoxypropan-2-yloxy)-2-(1,3-dimethoxypropan-2-yloxymethyl)-3,3-dimethylbutane

1-[1,3-bis(2-methoxyethoxy)propan-2-yloxy]-2-[1,3-bis(2-methoxyethoxy)propan-2-yloxymethyl]-3,3-dimethylbutane;1-(1,3-dimethoxypropan-2-yloxy)-2-(1,3-dimethoxypropan-2-yloxymethyl)-3,3-dimethylbutane (PubChem CID 165060028) has the molecular formula C42H88O16 and a molecular weight of 849.15 g/mol. Its IUPAC name is 1-[1,3-bis(2-methoxyethoxy)propan-2-yloxy]-2-[1,3-bis(2-methoxyethoxy)propan-2-yloxymethyl]-3,3-dimethylbutane;1-(1,3-dimethoxypropan-2-yloxy)-2-(1,3-dimethoxypropan-2-yloxymethyl)-3,3-dimethylbutane.

Molecular Properties

Compound Name1-[1,3-bis(2-methoxyethoxy)propan-2-yloxy]-2-[1,3-bis(2-methoxyethoxy)propan-2-yloxymethyl]-3,3-dimethylbutane;1-(1,3-dimethoxypropan-2-yloxy)-2-(1,3-dimethoxypropan-2-yloxymethyl)-3,3-dimethylbutane
PubChem CID165060028
Molecular FormulaC42H88O16
Molecular Weight849.15 g/mol
Exact Mass848.61
IUPAC Name1-[1,3-bis(2-methoxyethoxy)propan-2-yloxy]-2-[1,3-bis(2-methoxyethoxy)propan-2-yloxymethyl]-3,3-dimethylbutane;1-(1,3-dimethoxypropan-2-yloxy)-2-(1,3-dimethoxypropan-2-yloxymethyl)-3,3-dimethylbutane
SMILESCOCC(COC)OCC(COC(COC)COC)C(C)(C)C.COCCOCC(COCCOC)OCC(COC(COCCOC)COCCOC)C(C)(C)C
InChIInChI=1S/C25H52O10.C17H36O6/c1-25(2,3)22(16-34-23(18-30-12-8-26-4)19-31-13-9-27-5)17-35-24(20-32-14-10-28-6)21-33-15-11-29-7;1-17(2,3)14(8-22-15(10-18-4)11-19-5)9-23-16(12-20-6)13-21-7/h22-24H,8-21H2,1-7H3;14-16H,8-13H2,1-7H3
InChIKeyRAWBPPSXZFNOIV-UHFFFAOYSA-N
XLogP4.08
TPSA147.68 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds40
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500849.15
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 1-[1,3-bis(2-methoxyethoxy)propan-2-yloxy]-2-[1,3-bis(2-methoxyethoxy)propan-2-yloxymethyl]-3,3-dimethylbutane;1-(1,3-dimethoxypropan-2-yloxy)-2-(1,3-dimethoxypropan-2-yloxymethyl)-3,3-dimethylbutane with MolForge

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Related Compounds

1-[1,3-bis(2-methoxyethoxy)propan-2-yloxy]-3-(2-methoxyethoxy)propan-2-ol
CID 132556170
1-[1-methoxy-3-(2-methoxyethoxy)propan-2-yl]oxyoctadecane
CID 126614147
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3,3-dimethylbutan-2-amine
CID 104560569
1-[1,3-bis(2-methoxyethoxy)propan-2-yloxy]-4-methylpentane
CID 158254668
1,2-dimethoxy-3-(2-methoxyethoxymethoxy)propane
CID 88943505
1,2-diethoxy-3-[2-ethoxy-3-[2-ethoxy-3-(2-methoxyethoxy)propoxy]propoxy]propane;1,2-diethoxy-3-(2-methoxyethoxy)propane;1-ethoxy-2,2-bis(ethoxymethyl)-3-(2-methoxyethoxy)propane;methane
CID 160717226
4-[2-[2-[1-[2-[2-[2,3-bis[2-(2-methoxyethoxy)ethoxy]propoxy]ethoxy]ethoxy]butan-2-yloxy]ethoxy]ethoxy]-1,2-bis[2-(2-methoxyethoxy)ethoxy]butane;methanethiol
CID 157198913
3,3-dimethyl-1-propan-2-yloxy-2-(propan-2-yloxymethyl)butane
CID 126681009
1-[1-(2-methoxyethoxy)butan-2-yloxy]pentane
CID 165154265
2-amino-3-[2-(2-methoxyethoxy)ethoxy]propan-1-ol
CID 112704571
1-(3-methoxy-2-propoxypropoxy)butane
CID 90999549
1,3-bis(2-tritiooxyethoxy)-2-[[3-(2-tritiooxyethoxy)-2,2-bis(2-tritiooxyethoxymethyl)propoxy]methyl]-2-(2-tritiooxyethoxymethyl)propane;1-(2-methoxyethoxy)-2,3-bis(2-tritiooxyethoxy)propane;1-(2-methoxyethoxy)-3-(2-tritiooxyethoxy)-2,2-bis(2-tritiooxyethoxymethyl)propane
CID 158840600

Frequently Asked Questions

What is the IUPAC name of 1-[1,3-bis(2-methoxyethoxy)propan-2-yloxy]-2-[1,3-bis(2-methoxyethoxy)propan-2-yloxymethyl]-3,3-dimethylbutane;1-(1,3-dimethoxypropan-2-yloxy)-2-(1,3-dimethoxypropan-2-yloxymethyl)-3,3-dimethylbutane?
The IUPAC name of 1-[1,3-bis(2-methoxyethoxy)propan-2-yloxy]-2-[1,3-bis(2-methoxyethoxy)propan-2-yloxymethyl]-3,3-dimethylbutane;1-(1,3-dimethoxypropan-2-yloxy)-2-(1,3-dimethoxypropan-2-yloxymethyl)-3,3-dimethylbutane (CID 165060028) is 1-[1,3-bis(2-methoxyethoxy)propan-2-yloxy]-2-[1,3-bis(2-methoxyethoxy)propan-2-yloxymethyl]-3,3-dimethylbutane;1-(1,3-dimethoxypropan-2-yloxy)-2-(1,3-dimethoxypropan-2-yloxymethyl)-3,3-dimethylbutane.
What is the SMILES notation for 1-[1,3-bis(2-methoxyethoxy)propan-2-yloxy]-2-[1,3-bis(2-methoxyethoxy)propan-2-yloxymethyl]-3,3-dimethylbutane;1-(1,3-dimethoxypropan-2-yloxy)-2-(1,3-dimethoxypropan-2-yloxymethyl)-3,3-dimethylbutane?
The canonical SMILES for 1-[1,3-bis(2-methoxyethoxy)propan-2-yloxy]-2-[1,3-bis(2-methoxyethoxy)propan-2-yloxymethyl]-3,3-dimethylbutane;1-(1,3-dimethoxypropan-2-yloxy)-2-(1,3-dimethoxypropan-2-yloxymethyl)-3,3-dimethylbutane is COCC(COC)OCC(COC(COC)COC)C(C)(C)C.COCCOCC(COCCOC)OCC(COC(COCCOC)COCCOC)C(C)(C)C.
What is the InChIKey of 1-[1,3-bis(2-methoxyethoxy)propan-2-yloxy]-2-[1,3-bis(2-methoxyethoxy)propan-2-yloxymethyl]-3,3-dimethylbutane;1-(1,3-dimethoxypropan-2-yloxy)-2-(1,3-dimethoxypropan-2-yloxymethyl)-3,3-dimethylbutane?
The InChIKey is RAWBPPSXZFNOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H52O10.C17H36O6/c1-25(2,3)22(16-34-23(18-30-12-8-26-4)19-31-13-9-27-5)17-35-24(20-32-14-10-28-6)21-33-15-11-29-7;1-17(2,3)14(8-22-15(10-18-4)11-19-5)9-23-16(12-20-6)13-21-7/h22-24H,8-21H2,1-7H3;14-16H,8-13H2,1-7H3.
What are the key properties of 1-[1,3-bis(2-methoxyethoxy)propan-2-yloxy]-2-[1,3-bis(2-methoxyethoxy)propan-2-yloxymethyl]-3,3-dimethylbutane;1-(1,3-dimethoxypropan-2-yloxy)-2-(1,3-dimethoxypropan-2-yloxymethyl)-3,3-dimethylbutane?
1-[1,3-bis(2-methoxyethoxy)propan-2-yloxy]-2-[1,3-bis(2-methoxyethoxy)propan-2-yloxymethyl]-3,3-dimethylbutane;1-(1,3-dimethoxypropan-2-yloxy)-2-(1,3-dimethoxypropan-2-yloxymethyl)-3,3-dimethylbutane has a molecular weight of 849.15 g/mol, XLogP of 4.08, 40 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,3-bis(2-methoxyethoxy)propan-2-yloxy]-2-[1,3-bis(2-methoxyethoxy)propan-2-yloxymethyl]-3,3-dimethylbutane;1-(1,3-dimethoxypropan-2-yloxy)-2-(1,3-dimethoxypropan-2-yloxymethyl)-3,3-dimethylbutane is sourced from PubChem (CID 165060028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).