4-[2-[4-(4-methoxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxy-4-methyl-4-[2-methyl-4-(2-methyl-4-propan-2-yloxybutan-2-yl)oxybutan-2-yl]oxypentoxy]-3,3,4-trimethyl-1-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypentane

C47H96O9 — CID 138534237

IUPAC4-[2-[4-(4-methoxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxy-4-methyl-4-[2-methyl-4-(2-methyl-4-propan-2-yloxybutan-2-yl)oxybutan-2-yl]oxypentoxy]-3,3,4-trimethyl-1-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypentane
SMILESCOCCC(C)(C)OCCC(C)(C)OC(COC(C)(C)C(C)(C)CCOC(C)(C)CCOC(C)(C)C)CC(C)(C)OC(C)(C)CCOC(C)(C)CCOC(C)C
InChIInChI=1S/C47H96O9/c1-37(2)49-30-25-42(10,11)53-34-28-45(16,17)56-46(18,19)35-38(55-44(14,15)27-33-52-41(8,9)24-29-48-22)36-54-47(20,21)40(6,7)23-31-51-43(12,13)26-32-50-39(3,4)5/h37-38H,23-36H2,1-22H3
InChIKeyABYYOYIURXCXJO-UHFFFAOYSA-N
MW805.28 g/mol
LogP11.55
Rot. Bonds32

About 4-[2-[4-(4-methoxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxy-4-methyl-4-[2-methyl-4-(2-methyl-4-propan-2-yloxybutan-2-yl)oxybutan-2-yl]oxypentoxy]-3,3,4-trimethyl-1-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypentane

4-[2-[4-(4-methoxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxy-4-methyl-4-[2-methyl-4-(2-methyl-4-propan-2-yloxybutan-2-yl)oxybutan-2-yl]oxypentoxy]-3,3,4-trimethyl-1-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypentane (PubChem CID 138534237) has the molecular formula C47H96O9 and a molecular weight of 805.28 g/mol. Its IUPAC name is 4-[2-[4-(4-methoxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxy-4-methyl-4-[2-methyl-4-(2-methyl-4-propan-2-yloxybutan-2-yl)oxybutan-2-yl]oxypentoxy]-3,3,4-trimethyl-1-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypentane.

Molecular Properties

Compound Name4-[2-[4-(4-methoxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxy-4-methyl-4-[2-methyl-4-(2-methyl-4-propan-2-yloxybutan-2-yl)oxybutan-2-yl]oxypentoxy]-3,3,4-trimethyl-1-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypentane
PubChem CID138534237
Molecular FormulaC47H96O9
Molecular Weight805.28 g/mol
Exact Mass804.71
IUPAC Name4-[2-[4-(4-methoxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxy-4-methyl-4-[2-methyl-4-(2-methyl-4-propan-2-yloxybutan-2-yl)oxybutan-2-yl]oxypentoxy]-3,3,4-trimethyl-1-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypentane
SMILESCOCCC(C)(C)OCCC(C)(C)OC(COC(C)(C)C(C)(C)CCOC(C)(C)CCOC(C)(C)C)CC(C)(C)OC(C)(C)CCOC(C)(C)CCOC(C)C
InChIInChI=1S/C47H96O9/c1-37(2)49-30-25-42(10,11)53-34-28-45(16,17)56-46(18,19)35-38(55-44(14,15)27-33-52-41(8,9)24-29-48-22)36-54-47(20,21)40(6,7)23-31-51-43(12,13)26-32-50-39(3,4)5/h37-38H,23-36H2,1-22H3
InChIKeyABYYOYIURXCXJO-UHFFFAOYSA-N
XLogP11.55
TPSA83.07 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds32
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500805.28
LogP ≤ 511.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4-[2-[4-(4-methoxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxy-4-methyl-4-[2-methyl-4-(2-methyl-4-propan-2-yloxybutan-2-yl)oxybutan-2-yl]oxypentoxy]-3,3,4-trimethyl-1-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypentane with MolForge

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Launch Full Analysis

Related Compounds

2,4-dimethyl-2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypentane
CID 123352444
2-methyl-4-[2,3,3-trimethyl-5-(2,3,3-trimethyl-5-propan-2-yloxypentan-2-yl)oxyhexan-2-yl]oxybutan-2-ol
CID 87098256
2,3-dimethyl-4-[2,3,3-trimethyl-5-[(2-methylpropan-2-yl)oxy]pentan-2-yl]oxybutan-2-amine
CID 89018610
2-methyl-4-[2,3,3,4-tetramethyl-5-(2,3,3-trimethyl-5-propan-2-yloxypentan-2-yl)oxypentan-2-yl]oxybutan-2-ol
CID 90349773
3-(2-methoxypropoxy)-3-methyl-1-[(2-methylpropan-2-yl)oxy]butane
CID 121440686
4-[4-[1-[2-(2-methoxyethoxy)ethoxy]-5-[3-[2-(2-methoxyethoxy)ethoxy]-3-methylbutoxy]-4,4,5-trimethylhexan-2-yl]oxy-3,3,4-trimethylpentoxy]-4-methylpent-1-en-3-one
CID 123317002
N-methyl-2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxyethanamine
CID 155034107
(2,5-dioxopyrrolidin-1-yl) 3-[3-[2-[4-[4-(2,5-dioxopyrrolidin-1-yl)oxy-2-methyl-4-oxobutan-2-yl]oxy-2-methylbutan-2-yl]oxy-3-(2-methyl-4-propan-2-yloxybutan-2-yl)oxypropoxy]-3-methylbutoxy]-3-methylbutanoate
CID 121265065
2-ethoxy-6-(2-methoxyethoxy)-2,3,3,6-tetramethylheptane
CID 167138738
2,4-dimethoxy-4-methyl-1-[(2-methylpropan-2-yl)oxy]pentane
CID 129163644
4-methyl-4-[(2-methylpropan-2-yl)oxy]-1-propan-2-yloxypentane
CID 88972268
2-[4-[5-(3,3-dimethyl-5-propan-2-yloxypentan-2-yl)oxy-2,3,3-trimethylhexan-2-yl]oxy-2-methylbutan-2-yl]oxyethyl 2,2-dimethylpropanoate
CID 139382572

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(4-methoxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxy-4-methyl-4-[2-methyl-4-(2-methyl-4-propan-2-yloxybutan-2-yl)oxybutan-2-yl]oxypentoxy]-3,3,4-trimethyl-1-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypentane?
The IUPAC name of 4-[2-[4-(4-methoxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxy-4-methyl-4-[2-methyl-4-(2-methyl-4-propan-2-yloxybutan-2-yl)oxybutan-2-yl]oxypentoxy]-3,3,4-trimethyl-1-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypentane (CID 138534237) is 4-[2-[4-(4-methoxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxy-4-methyl-4-[2-methyl-4-(2-methyl-4-propan-2-yloxybutan-2-yl)oxybutan-2-yl]oxypentoxy]-3,3,4-trimethyl-1-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypentane.
What is the SMILES notation for 4-[2-[4-(4-methoxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxy-4-methyl-4-[2-methyl-4-(2-methyl-4-propan-2-yloxybutan-2-yl)oxybutan-2-yl]oxypentoxy]-3,3,4-trimethyl-1-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypentane?
The canonical SMILES for 4-[2-[4-(4-methoxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxy-4-methyl-4-[2-methyl-4-(2-methyl-4-propan-2-yloxybutan-2-yl)oxybutan-2-yl]oxypentoxy]-3,3,4-trimethyl-1-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypentane is COCCC(C)(C)OCCC(C)(C)OC(COC(C)(C)C(C)(C)CCOC(C)(C)CCOC(C)(C)C)CC(C)(C)OC(C)(C)CCOC(C)(C)CCOC(C)C.
What is the InChIKey of 4-[2-[4-(4-methoxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxy-4-methyl-4-[2-methyl-4-(2-methyl-4-propan-2-yloxybutan-2-yl)oxybutan-2-yl]oxypentoxy]-3,3,4-trimethyl-1-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypentane?
The InChIKey is ABYYOYIURXCXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H96O9/c1-37(2)49-30-25-42(10,11)53-34-28-45(16,17)56-46(18,19)35-38(55-44(14,15)27-33-52-41(8,9)24-29-48-22)36-54-47(20,21)40(6,7)23-31-51-43(12,13)26-32-50-39(3,4)5/h37-38H,23-36H2,1-22H3.
What are the key properties of 4-[2-[4-(4-methoxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxy-4-methyl-4-[2-methyl-4-(2-methyl-4-propan-2-yloxybutan-2-yl)oxybutan-2-yl]oxypentoxy]-3,3,4-trimethyl-1-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypentane?
4-[2-[4-(4-methoxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxy-4-methyl-4-[2-methyl-4-(2-methyl-4-propan-2-yloxybutan-2-yl)oxybutan-2-yl]oxypentoxy]-3,3,4-trimethyl-1-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypentane has a molecular weight of 805.28 g/mol, XLogP of 11.55, 32 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(4-methoxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxy-4-methyl-4-[2-methyl-4-(2-methyl-4-propan-2-yloxybutan-2-yl)oxybutan-2-yl]oxypentoxy]-3,3,4-trimethyl-1-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypentane is sourced from PubChem (CID 138534237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).