2-propan-2-yloxypropyl 2-methyl-2-[2,2,4-trimethyl-4-[[2-methyl-1-oxo-1-(2-propan-2-yloxypropoxy)propan-2-yl]oxymethyl]hexoxy]propanoate

C30H58O8 — CID 123523384

IUPAC2-propan-2-yloxypropyl 2-methyl-2-[2,2,4-trimethyl-4-[[2-methyl-1-oxo-1-(2-propan-2-yloxypropoxy)propan-2-yl]oxymethyl]hexoxy]propanoate
SMILESCCC(C)(COC(C)(C)C(=O)OCC(C)OC(C)C)CC(C)(C)COC(C)(C)C(=O)OCC(C)OC(C)C
InChIInChI=1S/C30H58O8/c1-15-30(14,20-36-29(12,13)26(32)34-17-24(7)38-22(4)5)18-27(8,9)19-35-28(10,11)25(31)33-16-23(6)37-21(2)3/h21-24H,15-20H2,1-14H3
InChIKeyRWBOPKVUZIODGP-UHFFFAOYSA-N
MW546.79 g/mol
LogP6.12
Rot. Bonds19

About 2-propan-2-yloxypropyl 2-methyl-2-[2,2,4-trimethyl-4-[[2-methyl-1-oxo-1-(2-propan-2-yloxypropoxy)propan-2-yl]oxymethyl]hexoxy]propanoate

2-propan-2-yloxypropyl 2-methyl-2-[2,2,4-trimethyl-4-[[2-methyl-1-oxo-1-(2-propan-2-yloxypropoxy)propan-2-yl]oxymethyl]hexoxy]propanoate (PubChem CID 123523384) has the molecular formula C30H58O8 and a molecular weight of 546.79 g/mol. Its IUPAC name is 2-propan-2-yloxypropyl 2-methyl-2-[2,2,4-trimethyl-4-[[2-methyl-1-oxo-1-(2-propan-2-yloxypropoxy)propan-2-yl]oxymethyl]hexoxy]propanoate.

Molecular Properties

Compound Name2-propan-2-yloxypropyl 2-methyl-2-[2,2,4-trimethyl-4-[[2-methyl-1-oxo-1-(2-propan-2-yloxypropoxy)propan-2-yl]oxymethyl]hexoxy]propanoate
PubChem CID123523384
Molecular FormulaC30H58O8
Molecular Weight546.79 g/mol
Exact Mass546.41
IUPAC Name2-propan-2-yloxypropyl 2-methyl-2-[2,2,4-trimethyl-4-[[2-methyl-1-oxo-1-(2-propan-2-yloxypropoxy)propan-2-yl]oxymethyl]hexoxy]propanoate
SMILESCCC(C)(COC(C)(C)C(=O)OCC(C)OC(C)C)CC(C)(C)COC(C)(C)C(=O)OCC(C)OC(C)C
InChIInChI=1S/C30H58O8/c1-15-30(14,20-36-29(12,13)26(32)34-17-24(7)38-22(4)5)18-27(8,9)19-35-28(10,11)25(31)33-16-23(6)37-21(2)3/h21-24H,15-20H2,1-14H3
InChIKeyRWBOPKVUZIODGP-UHFFFAOYSA-N
XLogP6.12
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds19
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.79
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-propan-2-yloxypropyl 2-methyl-2-[2,2,4-trimethyl-4-[[2-methyl-1-oxo-1-(2-propan-2-yloxypropoxy)propan-2-yl]oxymethyl]hexoxy]propanoate with MolForge

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Related Compounds

2-propan-2-yloxypropyl 3-[2,3-dimethyl-3-[2-methyl-1-oxo-1-(2-propan-2-yloxypropoxy)propan-2-yl]oxypentoxy]-2,2,3-trimethylpentanoate
CID 118464378
2-propan-2-yloxyethyl 2-methyl-2-(2,2,4,4-tetramethylheptoxy)propanoate
CID 135188610
bis[2-[2-methyl-1-oxo-1-(2-propan-2-yloxypropoxy)propan-2-yl]oxypropyl] 2,2,4-trimethylpentanedioate
CID 123549682
2-propan-2-yloxypropyl 2-[1-[2-(2-methoxypropoxymethyl)-3-[2-[2-methyl-1-oxo-1-(2-propan-2-yloxypropoxy)propan-2-yl]oxypropoxy]-2-[2-[2-methyl-1-oxo-1-(2-propan-2-yloxypropoxy)propan-2-yl]oxypropoxymethyl]propoxy]propan-2-yloxy]-2-methylpropanoate
CID 146334747
2-hydroxypropyl 5-[1-[2-[3-[1-[2-[6-(2-hydroxypropoxy)-2-methyl-3,6-dioxohexan-2-yl]oxypropoxy]-2-methyl-1-oxopropan-2-yl]oxy-2,2-dimethylpropoxy]-2-methylpropanoyl]oxypropan-2-yloxy]-5-methyl-4-oxohexanoate
CID 126496971
2-[2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1-oxopropan-2-yl]oxypropyl 2,2-dimethylbutanoate
CID 88875867
2-methylpropyl 2,2-diethylbutanoate
CID 139972882
bis(2-methylpropyl) 2,3-diethoxy-2,3-dimethylbutanedioate
CID 139989397
2-ethoxypropyl 2,2-dimethylbutanoate
CID 177277307
[2-methyl-1-(2-methylpropoxy)-1-oxopropan-2-yl] 2,2-dimethylpropanoate
CID 153381894
2-methylpropyl 2-methyl-2-(2-methylpropanoyloxy)propanoate
CID 153381891
2-propan-2-yloxyethyl 2-[4-[1-(2-butan-2-yloxyethoxy)-2-methyl-1-oxopropan-2-yl]oxybutoxy]-2-methylpropanoate
CID 123975433

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxypropyl 2-methyl-2-[2,2,4-trimethyl-4-[[2-methyl-1-oxo-1-(2-propan-2-yloxypropoxy)propan-2-yl]oxymethyl]hexoxy]propanoate?
The IUPAC name of 2-propan-2-yloxypropyl 2-methyl-2-[2,2,4-trimethyl-4-[[2-methyl-1-oxo-1-(2-propan-2-yloxypropoxy)propan-2-yl]oxymethyl]hexoxy]propanoate (CID 123523384) is 2-propan-2-yloxypropyl 2-methyl-2-[2,2,4-trimethyl-4-[[2-methyl-1-oxo-1-(2-propan-2-yloxypropoxy)propan-2-yl]oxymethyl]hexoxy]propanoate.
What is the SMILES notation for 2-propan-2-yloxypropyl 2-methyl-2-[2,2,4-trimethyl-4-[[2-methyl-1-oxo-1-(2-propan-2-yloxypropoxy)propan-2-yl]oxymethyl]hexoxy]propanoate?
The canonical SMILES for 2-propan-2-yloxypropyl 2-methyl-2-[2,2,4-trimethyl-4-[[2-methyl-1-oxo-1-(2-propan-2-yloxypropoxy)propan-2-yl]oxymethyl]hexoxy]propanoate is CCC(C)(COC(C)(C)C(=O)OCC(C)OC(C)C)CC(C)(C)COC(C)(C)C(=O)OCC(C)OC(C)C.
What is the InChIKey of 2-propan-2-yloxypropyl 2-methyl-2-[2,2,4-trimethyl-4-[[2-methyl-1-oxo-1-(2-propan-2-yloxypropoxy)propan-2-yl]oxymethyl]hexoxy]propanoate?
The InChIKey is RWBOPKVUZIODGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H58O8/c1-15-30(14,20-36-29(12,13)26(32)34-17-24(7)38-22(4)5)18-27(8,9)19-35-28(10,11)25(31)33-16-23(6)37-21(2)3/h21-24H,15-20H2,1-14H3.
What are the key properties of 2-propan-2-yloxypropyl 2-methyl-2-[2,2,4-trimethyl-4-[[2-methyl-1-oxo-1-(2-propan-2-yloxypropoxy)propan-2-yl]oxymethyl]hexoxy]propanoate?
2-propan-2-yloxypropyl 2-methyl-2-[2,2,4-trimethyl-4-[[2-methyl-1-oxo-1-(2-propan-2-yloxypropoxy)propan-2-yl]oxymethyl]hexoxy]propanoate has a molecular weight of 546.79 g/mol, XLogP of 6.12, 19 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxypropyl 2-methyl-2-[2,2,4-trimethyl-4-[[2-methyl-1-oxo-1-(2-propan-2-yloxypropoxy)propan-2-yl]oxymethyl]hexoxy]propanoate is sourced from PubChem (CID 123523384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).