(2-methyl-4-propan-2-yloxybutan-2-yl) 2-methyl-2-[[2-methyl-1-(3-methyl-1-propan-2-yloxypentan-3-yl)oxy-1-oxopropan-2-yl]diazenyl]propanoate

C25H48N2O6 — CID 123647197

IUPAC(2-methyl-4-propan-2-yloxybutan-2-yl) 2-methyl-2-[[2-methyl-1-(3-methyl-1-propan-2-yloxypentan-3-yl)oxy-1-oxopropan-2-yl]diazenyl]propanoate
SMILESCCC(C)(CCOC(C)C)OC(=O)C(C)(C)/N=N/C(C)(C)C(=O)OC(C)(C)CCOC(C)C
InChIInChI=1S/C25H48N2O6/c1-13-25(12,15-17-31-19(4)5)33-21(29)24(10,11)27-26-23(8,9)20(28)32-22(6,7)14-16-30-18(2)3/h18-19H,13-17H2,1-12H3/b27-26+
InChIKeyZXZSZJBVNMHAOO-CYYJNZCTSA-N
MW472.67 g/mol
LogP5.66
Rot. Bonds15

About (2-methyl-4-propan-2-yloxybutan-2-yl) 2-methyl-2-[[2-methyl-1-(3-methyl-1-propan-2-yloxypentan-3-yl)oxy-1-oxopropan-2-yl]diazenyl]propanoate

(2-methyl-4-propan-2-yloxybutan-2-yl) 2-methyl-2-[[2-methyl-1-(3-methyl-1-propan-2-yloxypentan-3-yl)oxy-1-oxopropan-2-yl]diazenyl]propanoate (PubChem CID 123647197) has the molecular formula C25H48N2O6 and a molecular weight of 472.67 g/mol. Its IUPAC name is (2-methyl-4-propan-2-yloxybutan-2-yl) 2-methyl-2-[[2-methyl-1-(3-methyl-1-propan-2-yloxypentan-3-yl)oxy-1-oxopropan-2-yl]diazenyl]propanoate.

Molecular Properties

Compound Name(2-methyl-4-propan-2-yloxybutan-2-yl) 2-methyl-2-[[2-methyl-1-(3-methyl-1-propan-2-yloxypentan-3-yl)oxy-1-oxopropan-2-yl]diazenyl]propanoate
PubChem CID123647197
Molecular FormulaC25H48N2O6
Molecular Weight472.67 g/mol
Exact Mass472.35
IUPAC Name(2-methyl-4-propan-2-yloxybutan-2-yl) 2-methyl-2-[[2-methyl-1-(3-methyl-1-propan-2-yloxypentan-3-yl)oxy-1-oxopropan-2-yl]diazenyl]propanoate
SMILESCCC(C)(CCOC(C)C)OC(=O)C(C)(C)/N=N/C(C)(C)C(=O)OC(C)(C)CCOC(C)C
InChIInChI=1S/C25H48N2O6/c1-13-25(12,15-17-31-19(4)5)33-21(29)24(10,11)27-26-23(8,9)20(28)32-22(6,7)14-16-30-18(2)3/h18-19H,13-17H2,1-12H3/b27-26+
InChIKeyZXZSZJBVNMHAOO-CYYJNZCTSA-N
XLogP5.66
TPSA95.78 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.67
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze (2-methyl-4-propan-2-yloxybutan-2-yl) 2-methyl-2-[[2-methyl-1-(3-methyl-1-propan-2-yloxypentan-3-yl)oxy-1-oxopropan-2-yl]diazenyl]propanoate with MolForge

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Launch Full Analysis

Related Compounds

(2-methyl-6-propan-2-yloxyhexan-2-yl) 2,2-dimethylpropanoate
CID 166750043
2-propan-2-yloxyethyl 2-methyl-2-(3-methylpentan-3-yloxy)propanoate
CID 123797837
2-ethyl-2-(2-propan-2-yloxyethyl)propanedioic acid
CID 59323519
(1-butan-2-yloxy-3-methylpentan-3-yl) 2-tert-butyl-4-methylpentanoate
CID 138498280
3-methylpentan-3-yl 2,2-dimethylbutanoate
CID 22895611
[2-methyl-4-(3-methylpentan-3-yloxy)butan-2-yl] 2-methylprop-2-enoate
CID 123706360
2-[[1-(1-ethoxyethoxy)-2-methyl-1-oxopropan-2-yl]diazenyl]-2-methylpropanoic acid
CID 59010826
2,2-dimethyl-4-propan-2-yloxybutan-1-ol
CID 66023618
3-methyl-3-(2-methylprop-2-enoxy)-1-propan-2-yloxybutane
CID 90221696
methyl 2,2-dimethyl-5-propan-2-yloxypentanoate
CID 59323556
2-carbamoyl-2-methyl-4-propan-2-yloxybutanoic acid
CID 114899712
2-propan-2-yloxyethyl 3-methoxy-2,2,3-trimethylbutanoate
CID 123886318

Frequently Asked Questions

What is the IUPAC name of (2-methyl-4-propan-2-yloxybutan-2-yl) 2-methyl-2-[[2-methyl-1-(3-methyl-1-propan-2-yloxypentan-3-yl)oxy-1-oxopropan-2-yl]diazenyl]propanoate?
The IUPAC name of (2-methyl-4-propan-2-yloxybutan-2-yl) 2-methyl-2-[[2-methyl-1-(3-methyl-1-propan-2-yloxypentan-3-yl)oxy-1-oxopropan-2-yl]diazenyl]propanoate (CID 123647197) is (2-methyl-4-propan-2-yloxybutan-2-yl) 2-methyl-2-[[2-methyl-1-(3-methyl-1-propan-2-yloxypentan-3-yl)oxy-1-oxopropan-2-yl]diazenyl]propanoate.
What is the SMILES notation for (2-methyl-4-propan-2-yloxybutan-2-yl) 2-methyl-2-[[2-methyl-1-(3-methyl-1-propan-2-yloxypentan-3-yl)oxy-1-oxopropan-2-yl]diazenyl]propanoate?
The canonical SMILES for (2-methyl-4-propan-2-yloxybutan-2-yl) 2-methyl-2-[[2-methyl-1-(3-methyl-1-propan-2-yloxypentan-3-yl)oxy-1-oxopropan-2-yl]diazenyl]propanoate is CCC(C)(CCOC(C)C)OC(=O)C(C)(C)/N=N/C(C)(C)C(=O)OC(C)(C)CCOC(C)C.
What is the InChIKey of (2-methyl-4-propan-2-yloxybutan-2-yl) 2-methyl-2-[[2-methyl-1-(3-methyl-1-propan-2-yloxypentan-3-yl)oxy-1-oxopropan-2-yl]diazenyl]propanoate?
The InChIKey is ZXZSZJBVNMHAOO-CYYJNZCTSA-N. The full InChI is InChI=1S/C25H48N2O6/c1-13-25(12,15-17-31-19(4)5)33-21(29)24(10,11)27-26-23(8,9)20(28)32-22(6,7)14-16-30-18(2)3/h18-19H,13-17H2,1-12H3/b27-26+.
What are the key properties of (2-methyl-4-propan-2-yloxybutan-2-yl) 2-methyl-2-[[2-methyl-1-(3-methyl-1-propan-2-yloxypentan-3-yl)oxy-1-oxopropan-2-yl]diazenyl]propanoate?
(2-methyl-4-propan-2-yloxybutan-2-yl) 2-methyl-2-[[2-methyl-1-(3-methyl-1-propan-2-yloxypentan-3-yl)oxy-1-oxopropan-2-yl]diazenyl]propanoate has a molecular weight of 472.67 g/mol, XLogP of 5.66, 15 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-4-propan-2-yloxybutan-2-yl) 2-methyl-2-[[2-methyl-1-(3-methyl-1-propan-2-yloxypentan-3-yl)oxy-1-oxopropan-2-yl]diazenyl]propanoate is sourced from PubChem (CID 123647197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).