2-propan-2-yloxyethyl 2-[4-[1-(2-butan-2-yloxyethoxy)-2-methyl-1-oxopropan-2-yl]oxybutoxy]-2-methylpropanoate

C23H44O8 — CID 123975433

IUPAC2-propan-2-yloxyethyl 2-[4-[1-(2-butan-2-yloxyethoxy)-2-methyl-1-oxopropan-2-yl]oxybutoxy]-2-methylpropanoate
SMILESCCC(C)OCCOC(=O)C(C)(C)OCCCCOC(C)(C)C(=O)OCCOC(C)C
InChIInChI=1S/C23H44O8/c1-9-19(4)27-15-17-29-21(25)23(7,8)31-13-11-10-12-30-22(5,6)20(24)28-16-14-26-18(2)3/h18-19H,9-17H2,1-8H3
InChIKeyDMGJSJGNFBNQQG-UHFFFAOYSA-N
MW448.60 g/mol
LogP3.68
Rot. Bonds18

About 2-propan-2-yloxyethyl 2-[4-[1-(2-butan-2-yloxyethoxy)-2-methyl-1-oxopropan-2-yl]oxybutoxy]-2-methylpropanoate

2-propan-2-yloxyethyl 2-[4-[1-(2-butan-2-yloxyethoxy)-2-methyl-1-oxopropan-2-yl]oxybutoxy]-2-methylpropanoate (PubChem CID 123975433) has the molecular formula C23H44O8 and a molecular weight of 448.60 g/mol. Its IUPAC name is 2-propan-2-yloxyethyl 2-[4-[1-(2-butan-2-yloxyethoxy)-2-methyl-1-oxopropan-2-yl]oxybutoxy]-2-methylpropanoate.

Molecular Properties

Compound Name2-propan-2-yloxyethyl 2-[4-[1-(2-butan-2-yloxyethoxy)-2-methyl-1-oxopropan-2-yl]oxybutoxy]-2-methylpropanoate
PubChem CID123975433
Molecular FormulaC23H44O8
Molecular Weight448.60 g/mol
Exact Mass448.30
IUPAC Name2-propan-2-yloxyethyl 2-[4-[1-(2-butan-2-yloxyethoxy)-2-methyl-1-oxopropan-2-yl]oxybutoxy]-2-methylpropanoate
SMILESCCC(C)OCCOC(=O)C(C)(C)OCCCCOC(C)(C)C(=O)OCCOC(C)C
InChIInChI=1S/C23H44O8/c1-9-19(4)27-15-17-29-21(25)23(7,8)31-13-11-10-12-30-22(5,6)20(24)28-16-14-26-18(2)3/h18-19H,9-17H2,1-8H3
InChIKeyDMGJSJGNFBNQQG-UHFFFAOYSA-N
XLogP3.68
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.60
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-propan-2-yloxyethyl 2-methyl-2-(3-methylpentan-3-yloxy)propanoate
CID 123797837
2-propan-2-yloxyethyl 2-methyl-2-(2,2,4,4-tetramethylheptoxy)propanoate
CID 135188610
2-(diaminomethylideneamino)ethyl 2-methyl-2-[(2-methyl-2-pentoxypropanoyl)oxymethyl]-3-propan-2-yloxypropanoate
CID 166909839
2-propan-2-yloxyethyl 3-methoxy-2,2,3-trimethylbutanoate
CID 123886318
3-butan-2-yloxypropyl acetate
CID 134215719
propyl 2-methyl-2-propan-2-yloxypropanoate
CID 174484863
2-[2-[2-(2,2-dimethylbutanoyloxy)ethoxy]propoxy]ethyl 2,2-dimethylbutanoate
CID 170541221
6-butan-2-yloxy-2,2-dimethylhexanimidamide
CID 106712397
2-propan-2-yloxyethyl N-tert-butylcarbamate
CID 174652774
1-butan-2-yloxy-5-butoxy-5-methylheptane
CID 173302363
7-butan-2-yloxyheptan-1-ol
CID 90727194
6-butan-2-yloxyhexyl (E)-5-hydroxy-5-methyl-4-oxohept-2-enoate
CID 90440743

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxyethyl 2-[4-[1-(2-butan-2-yloxyethoxy)-2-methyl-1-oxopropan-2-yl]oxybutoxy]-2-methylpropanoate?
The IUPAC name of 2-propan-2-yloxyethyl 2-[4-[1-(2-butan-2-yloxyethoxy)-2-methyl-1-oxopropan-2-yl]oxybutoxy]-2-methylpropanoate (CID 123975433) is 2-propan-2-yloxyethyl 2-[4-[1-(2-butan-2-yloxyethoxy)-2-methyl-1-oxopropan-2-yl]oxybutoxy]-2-methylpropanoate.
What is the SMILES notation for 2-propan-2-yloxyethyl 2-[4-[1-(2-butan-2-yloxyethoxy)-2-methyl-1-oxopropan-2-yl]oxybutoxy]-2-methylpropanoate?
The canonical SMILES for 2-propan-2-yloxyethyl 2-[4-[1-(2-butan-2-yloxyethoxy)-2-methyl-1-oxopropan-2-yl]oxybutoxy]-2-methylpropanoate is CCC(C)OCCOC(=O)C(C)(C)OCCCCOC(C)(C)C(=O)OCCOC(C)C.
What is the InChIKey of 2-propan-2-yloxyethyl 2-[4-[1-(2-butan-2-yloxyethoxy)-2-methyl-1-oxopropan-2-yl]oxybutoxy]-2-methylpropanoate?
The InChIKey is DMGJSJGNFBNQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44O8/c1-9-19(4)27-15-17-29-21(25)23(7,8)31-13-11-10-12-30-22(5,6)20(24)28-16-14-26-18(2)3/h18-19H,9-17H2,1-8H3.
What are the key properties of 2-propan-2-yloxyethyl 2-[4-[1-(2-butan-2-yloxyethoxy)-2-methyl-1-oxopropan-2-yl]oxybutoxy]-2-methylpropanoate?
2-propan-2-yloxyethyl 2-[4-[1-(2-butan-2-yloxyethoxy)-2-methyl-1-oxopropan-2-yl]oxybutoxy]-2-methylpropanoate has a molecular weight of 448.60 g/mol, XLogP of 3.68, 18 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxyethyl 2-[4-[1-(2-butan-2-yloxyethoxy)-2-methyl-1-oxopropan-2-yl]oxybutoxy]-2-methylpropanoate is sourced from PubChem (CID 123975433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).