1-ethoxy-2-[[2-(ethoxymethyl)-3-(3-tritiopropoxy)-2-(3-tritiopropoxymethyl)propoxy]methyl]-3-(3-tritiopropoxy)-2-(3-tritiopropoxymethyl)propane

C26H54O7 — CID 163599128

IUPAC1-ethoxy-2-[[2-(ethoxymethyl)-3-(3-tritiopropoxy)-2-(3-tritiopropoxymethyl)propoxy]methyl]-3-(3-tritiopropoxy)-2-(3-tritiopropoxymethyl)propane
SMILES[3H]CCCOCC(COCC)(COCCC[3H])COCC(COCC)(COCCC[3H])COCCC[3H]
InChIInChI=1S/C26H54O7/c1-7-13-29-19-25(17-27-11-5,20-30-14-8-2)23-33-24-26(18-28-12-6,21-31-15-9-3)22-32-16-10-4/h7-24H2,1-6H3/i1T,2T,3T,4T
InChIKeyMOHNLKZHFHOVEL-ZBHCNTRJSA-N
MW486.74 g/mol
LogP4.76
Rot. Bonds30

About 1-ethoxy-2-[[2-(ethoxymethyl)-3-(3-tritiopropoxy)-2-(3-tritiopropoxymethyl)propoxy]methyl]-3-(3-tritiopropoxy)-2-(3-tritiopropoxymethyl)propane

1-ethoxy-2-[[2-(ethoxymethyl)-3-(3-tritiopropoxy)-2-(3-tritiopropoxymethyl)propoxy]methyl]-3-(3-tritiopropoxy)-2-(3-tritiopropoxymethyl)propane (PubChem CID 163599128) has the molecular formula C26H54O7 and a molecular weight of 486.74 g/mol. Its IUPAC name is 1-ethoxy-2-[[2-(ethoxymethyl)-3-(3-tritiopropoxy)-2-(3-tritiopropoxymethyl)propoxy]methyl]-3-(3-tritiopropoxy)-2-(3-tritiopropoxymethyl)propane.

Molecular Properties

Compound Name1-ethoxy-2-[[2-(ethoxymethyl)-3-(3-tritiopropoxy)-2-(3-tritiopropoxymethyl)propoxy]methyl]-3-(3-tritiopropoxy)-2-(3-tritiopropoxymethyl)propane
PubChem CID163599128
Molecular FormulaC26H54O7
Molecular Weight486.74 g/mol
Exact Mass486.42
IUPAC Name1-ethoxy-2-[[2-(ethoxymethyl)-3-(3-tritiopropoxy)-2-(3-tritiopropoxymethyl)propoxy]methyl]-3-(3-tritiopropoxy)-2-(3-tritiopropoxymethyl)propane
SMILES[3H]CCCOCC(COCC)(COCCC[3H])COCC(COCC)(COCCC[3H])COCCC[3H]
InChIInChI=1S/C26H54O7/c1-7-13-29-19-25(17-27-11-5,20-30-14-8-2)23-33-24-26(18-28-12-6,21-31-15-9-3)22-32-16-10-4/h7-24H2,1-6H3/i1T,2T,3T,4T
InChIKeyMOHNLKZHFHOVEL-ZBHCNTRJSA-N
XLogP4.76
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds30
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.74
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-ethoxy-2-[[2-(ethoxymethyl)-3-(3-tritiopropoxy)-2-(3-tritiopropoxymethyl)propoxy]methyl]-3-(3-tritiopropoxy)-2-(3-tritiopropoxymethyl)propane with MolForge

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Related Compounds

1-ethoxy-3-(5-tritiopentoxy)-2,2-bis(5-tritiopentoxymethyl)propane
CID 163506336
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
3-ethyl-3-(propoxymethyl)pentane
CID 21035931
1,3-diethoxy-2,2-bis(ethoxymethyl)propane;tetrakis(N,N-dimethylmethanamine);tetrahydroiodide
CID 173321778
5-[2,2-bis(ethoxymethyl)-3-(5-trimethoxysilylpentoxy)propoxy]pentyl-trimethoxysilane;5-[2-(ethoxymethyl)-2-[[2-(ethoxymethyl)-3-(5-trimethoxysilylpentoxy)-2-(5-trimethoxysilylpentoxymethyl)propoxy]methyl]-3-(5-trimethoxysilylpentoxy)propoxy]pentyl-trimethoxysilane;3-[2-(ethoxymethyl)-2-[[2-(ethoxymethyl)-3-(3-trimethoxysilylpropoxy)-2-(3-trimethoxysilylpropoxymethyl)propoxy]methyl]-3-(3-trimethoxysilylpropoxy)propoxy]propyl-trimethoxysilane;5-[2-(ethoxymethyl)-3-(5-trimethoxysilylpentoxy)-2-[[3-(5-trimethoxysilylpentoxy)-2,2-bis(5-trimethoxysilylpentoxymethyl)propoxy]methyl]propoxy]pentyl-trimethoxysilane;3-[2-(ethoxymethyl)-3-(3-trimethoxysilylpropoxy)-2-[[3-(3-trimethoxysilylpropoxy)-2,2-bis(3-trimethoxysilylpropoxymethyl)propoxy]methyl]propoxy]propyl-trimethoxysilane
CID 158154375
1-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane
CID 88861501
6,6-bis(ethoxymethyl)undecane
CID 89106537
4,4-bis(ethoxymethyl)heptane;5,5-bis(ethoxymethyl)nonane
CID 159037908
1-(2-butoxyethoxy)-2-(2-butoxyethoxymethyl)-3-[2-(3-tritiopropoxy)ethoxy]propane
CID 118966877
1-[2-(2-azidoethoxy)ethoxy]-2,2-bis[2-(2-azidoethoxy)ethoxymethyl]-3-(2-propoxyethoxy)propane
CID 59660898
1-ethoxypropane;methane
CID 158784820
1-(2,2,2-triethoxyethoxy)propane
CID 10751414

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2-[[2-(ethoxymethyl)-3-(3-tritiopropoxy)-2-(3-tritiopropoxymethyl)propoxy]methyl]-3-(3-tritiopropoxy)-2-(3-tritiopropoxymethyl)propane?
The IUPAC name of 1-ethoxy-2-[[2-(ethoxymethyl)-3-(3-tritiopropoxy)-2-(3-tritiopropoxymethyl)propoxy]methyl]-3-(3-tritiopropoxy)-2-(3-tritiopropoxymethyl)propane (CID 163599128) is 1-ethoxy-2-[[2-(ethoxymethyl)-3-(3-tritiopropoxy)-2-(3-tritiopropoxymethyl)propoxy]methyl]-3-(3-tritiopropoxy)-2-(3-tritiopropoxymethyl)propane.
What is the SMILES notation for 1-ethoxy-2-[[2-(ethoxymethyl)-3-(3-tritiopropoxy)-2-(3-tritiopropoxymethyl)propoxy]methyl]-3-(3-tritiopropoxy)-2-(3-tritiopropoxymethyl)propane?
The canonical SMILES for 1-ethoxy-2-[[2-(ethoxymethyl)-3-(3-tritiopropoxy)-2-(3-tritiopropoxymethyl)propoxy]methyl]-3-(3-tritiopropoxy)-2-(3-tritiopropoxymethyl)propane is [3H]CCCOCC(COCC)(COCCC[3H])COCC(COCC)(COCCC[3H])COCCC[3H].
What is the InChIKey of 1-ethoxy-2-[[2-(ethoxymethyl)-3-(3-tritiopropoxy)-2-(3-tritiopropoxymethyl)propoxy]methyl]-3-(3-tritiopropoxy)-2-(3-tritiopropoxymethyl)propane?
The InChIKey is MOHNLKZHFHOVEL-ZBHCNTRJSA-N. The full InChI is InChI=1S/C26H54O7/c1-7-13-29-19-25(17-27-11-5,20-30-14-8-2)23-33-24-26(18-28-12-6,21-31-15-9-3)22-32-16-10-4/h7-24H2,1-6H3/i1T,2T,3T,4T.
What are the key properties of 1-ethoxy-2-[[2-(ethoxymethyl)-3-(3-tritiopropoxy)-2-(3-tritiopropoxymethyl)propoxy]methyl]-3-(3-tritiopropoxy)-2-(3-tritiopropoxymethyl)propane?
1-ethoxy-2-[[2-(ethoxymethyl)-3-(3-tritiopropoxy)-2-(3-tritiopropoxymethyl)propoxy]methyl]-3-(3-tritiopropoxy)-2-(3-tritiopropoxymethyl)propane has a molecular weight of 486.74 g/mol, XLogP of 4.76, 30 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2-[[2-(ethoxymethyl)-3-(3-tritiopropoxy)-2-(3-tritiopropoxymethyl)propoxy]methyl]-3-(3-tritiopropoxy)-2-(3-tritiopropoxymethyl)propane is sourced from PubChem (CID 163599128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).