1,3-bis[2-(2,2-dimethylpropoxy)ethoxy]-2,2-bis[2-(2,2-dimethylpropoxy)ethoxymethyl]propane;1-[2-[2,3-bis[2-(2,2-dimethylpropoxy)ethoxy]propoxy]ethoxy]-2,2-dimethylpropane

C57H118O14 — CID 157299168

IUPAC1,3-bis[2-(2,2-dimethylpropoxy)ethoxy]-2,2-bis[2-(2,2-dimethylpropoxy)ethoxymethyl]propane;1-[2-[2,3-bis[2-(2,2-dimethylpropoxy)ethoxy]propoxy]ethoxy]-2,2-dimethylpropane
SMILESCC(C)(C)COCCOCC(COCCOCC(C)(C)C)(COCCOCC(C)(C)C)COCCOCC(C)(C)C.CC(C)(C)COCCOCC(COCCOCC(C)(C)C)OCCOCC(C)(C)C
InChIInChI=1S/C33H68O8.C24H50O6/c1-29(2,3)21-34-13-17-38-25-33(26-39-18-14-35-22-30(4,5)6,27-40-19-15-36-23-31(7,8)9)28-41-20-16-37-24-32(10,11)12;1-22(2,3)18-27-12-10-25-16-21(30-15-14-29-20-24(7,8)9)17-26-11-13-28-19-23(4,5)6/h13-28H2,1-12H3;21H,10-20H2,1-9H3
InChIKeyBBRQWRWSPJTUKW-UHFFFAOYSA-N
MW1027.56 g/mol
LogP10.88
Rot. Bonds41

About 1,3-bis[2-(2,2-dimethylpropoxy)ethoxy]-2,2-bis[2-(2,2-dimethylpropoxy)ethoxymethyl]propane;1-[2-[2,3-bis[2-(2,2-dimethylpropoxy)ethoxy]propoxy]ethoxy]-2,2-dimethylpropane

1,3-bis[2-(2,2-dimethylpropoxy)ethoxy]-2,2-bis[2-(2,2-dimethylpropoxy)ethoxymethyl]propane;1-[2-[2,3-bis[2-(2,2-dimethylpropoxy)ethoxy]propoxy]ethoxy]-2,2-dimethylpropane (PubChem CID 157299168) has the molecular formula C57H118O14 and a molecular weight of 1027.56 g/mol. Its IUPAC name is 1,3-bis[2-(2,2-dimethylpropoxy)ethoxy]-2,2-bis[2-(2,2-dimethylpropoxy)ethoxymethyl]propane;1-[2-[2,3-bis[2-(2,2-dimethylpropoxy)ethoxy]propoxy]ethoxy]-2,2-dimethylpropane.

Molecular Properties

Compound Name1,3-bis[2-(2,2-dimethylpropoxy)ethoxy]-2,2-bis[2-(2,2-dimethylpropoxy)ethoxymethyl]propane;1-[2-[2,3-bis[2-(2,2-dimethylpropoxy)ethoxy]propoxy]ethoxy]-2,2-dimethylpropane
PubChem CID157299168
Molecular FormulaC57H118O14
Molecular Weight1027.56 g/mol
Exact Mass1026.85
IUPAC Name1,3-bis[2-(2,2-dimethylpropoxy)ethoxy]-2,2-bis[2-(2,2-dimethylpropoxy)ethoxymethyl]propane;1-[2-[2,3-bis[2-(2,2-dimethylpropoxy)ethoxy]propoxy]ethoxy]-2,2-dimethylpropane
SMILESCC(C)(C)COCCOCC(COCCOCC(C)(C)C)(COCCOCC(C)(C)C)COCCOCC(C)(C)C.CC(C)(C)COCCOCC(COCCOCC(C)(C)C)OCCOCC(C)(C)C
InChIInChI=1S/C33H68O8.C24H50O6/c1-29(2,3)21-34-13-17-38-25-33(26-39-18-14-35-22-30(4,5)6,27-40-19-15-36-23-31(7,8)9)28-41-20-16-37-24-32(10,11)12;1-22(2,3)18-27-12-10-25-16-21(30-15-14-29-20-24(7,8)9)17-26-11-13-28-19-23(4,5)6/h13-28H2,1-12H3;21H,10-20H2,1-9H3
InChIKeyBBRQWRWSPJTUKW-UHFFFAOYSA-N
XLogP10.88
TPSA129.22 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds41
Heavy Atoms71
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001027.56
LogP ≤ 510.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

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Related Compounds

1,3-bis[2-(2,2-dimethylpropoxy)ethoxy]-2,2-bis[2-(2,2-dimethylpropoxy)ethoxymethyl]propane;bis(1-[2-[2,3-bis[2-(2,2-dimethylpropoxy)ethoxy]propoxy]ethoxy]-2,2-dimethylpropane)
CID 162104723
1,3-bis(2-propan-2-yloxyethoxy)-2,2-bis(2-propan-2-yloxyethoxymethyl)propane
CID 54403721
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
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
2-[2-[3-[3-[3-[3-[3-[2,3-bis[2-(2-hydroxyethoxy)ethoxy]propoxy]-2-[2-(2-hydroxyethoxy)ethoxy]propoxy]-2-[2-(2-hydroxyethoxy)ethoxy]propoxy]-2-[2-(2-hydroxyethoxy)ethoxy]propoxy]-2-[2-(2-hydroxyethoxy)ethoxy]propoxy]-2-[2-(2-hydroxyethoxy)ethoxy]propoxy]ethoxy]ethanol
CID 59459960
1,2-bis[2-(2-ethoxyethoxy)ethoxy]butane
CID 121246575
boric acid;2,2-dimethyl-1-(2-propan-2-yloxyethoxy)propane
CID 175110139
1-(1,3-dibutoxypropan-2-yloxy)-2-(1,3-dibutoxypropan-2-yloxymethyl)-3-[1-(2-propoxyethoxy)-3-propylperoxypropan-2-yl]oxy-2-[[1-(2-propoxyethoxy)-3-propylperoxypropan-2-yl]oxymethyl]propane
CID 160934366
methane;methylsulfanylmethane;2-(2-propoxyethoxy)-1-[2-(2-propoxyethoxy)ethoxy]-3-[2-(2-propoxyethoxy)-3-[2-(2-propoxyethoxy)-3-[2-(2-propoxyethoxy)-3-[2-(2-propoxyethoxy)-3-[2-(2-propoxyethoxy)-3-[2-(2-propoxyethoxy)ethoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propane
CID 159675079
2-[1-[2-(2,2-dimethylpropoxy)ethoxy]propan-2-yloxy]ethyl methanesulfonate
CID 59271065
1-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2,2-dimethylpropane
CID 166572083
1-[2-[2-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3,3-dimethylbutane
CID 131972620

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[2-(2,2-dimethylpropoxy)ethoxy]-2,2-bis[2-(2,2-dimethylpropoxy)ethoxymethyl]propane;1-[2-[2,3-bis[2-(2,2-dimethylpropoxy)ethoxy]propoxy]ethoxy]-2,2-dimethylpropane?
The IUPAC name of 1,3-bis[2-(2,2-dimethylpropoxy)ethoxy]-2,2-bis[2-(2,2-dimethylpropoxy)ethoxymethyl]propane;1-[2-[2,3-bis[2-(2,2-dimethylpropoxy)ethoxy]propoxy]ethoxy]-2,2-dimethylpropane (CID 157299168) is 1,3-bis[2-(2,2-dimethylpropoxy)ethoxy]-2,2-bis[2-(2,2-dimethylpropoxy)ethoxymethyl]propane;1-[2-[2,3-bis[2-(2,2-dimethylpropoxy)ethoxy]propoxy]ethoxy]-2,2-dimethylpropane.
What is the SMILES notation for 1,3-bis[2-(2,2-dimethylpropoxy)ethoxy]-2,2-bis[2-(2,2-dimethylpropoxy)ethoxymethyl]propane;1-[2-[2,3-bis[2-(2,2-dimethylpropoxy)ethoxy]propoxy]ethoxy]-2,2-dimethylpropane?
The canonical SMILES for 1,3-bis[2-(2,2-dimethylpropoxy)ethoxy]-2,2-bis[2-(2,2-dimethylpropoxy)ethoxymethyl]propane;1-[2-[2,3-bis[2-(2,2-dimethylpropoxy)ethoxy]propoxy]ethoxy]-2,2-dimethylpropane is CC(C)(C)COCCOCC(COCCOCC(C)(C)C)(COCCOCC(C)(C)C)COCCOCC(C)(C)C.CC(C)(C)COCCOCC(COCCOCC(C)(C)C)OCCOCC(C)(C)C.
What is the InChIKey of 1,3-bis[2-(2,2-dimethylpropoxy)ethoxy]-2,2-bis[2-(2,2-dimethylpropoxy)ethoxymethyl]propane;1-[2-[2,3-bis[2-(2,2-dimethylpropoxy)ethoxy]propoxy]ethoxy]-2,2-dimethylpropane?
The InChIKey is BBRQWRWSPJTUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H68O8.C24H50O6/c1-29(2,3)21-34-13-17-38-25-33(26-39-18-14-35-22-30(4,5)6,27-40-19-15-36-23-31(7,8)9)28-41-20-16-37-24-32(10,11)12;1-22(2,3)18-27-12-10-25-16-21(30-15-14-29-20-24(7,8)9)17-26-11-13-28-19-23(4,5)6/h13-28H2,1-12H3;21H,10-20H2,1-9H3.
What are the key properties of 1,3-bis[2-(2,2-dimethylpropoxy)ethoxy]-2,2-bis[2-(2,2-dimethylpropoxy)ethoxymethyl]propane;1-[2-[2,3-bis[2-(2,2-dimethylpropoxy)ethoxy]propoxy]ethoxy]-2,2-dimethylpropane?
1,3-bis[2-(2,2-dimethylpropoxy)ethoxy]-2,2-bis[2-(2,2-dimethylpropoxy)ethoxymethyl]propane;1-[2-[2,3-bis[2-(2,2-dimethylpropoxy)ethoxy]propoxy]ethoxy]-2,2-dimethylpropane has a molecular weight of 1027.56 g/mol, XLogP of 10.88, 41 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[2-(2,2-dimethylpropoxy)ethoxy]-2,2-bis[2-(2,2-dimethylpropoxy)ethoxymethyl]propane;1-[2-[2,3-bis[2-(2,2-dimethylpropoxy)ethoxy]propoxy]ethoxy]-2,2-dimethylpropane is sourced from PubChem (CID 157299168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).