2-propan-2-yloxyethyl 2-methyl-2-(3-methylpentan-3-yloxy)propanoate

C15H30O4 — CID 123797837

IUPAC2-propan-2-yloxyethyl 2-methyl-2-(3-methylpentan-3-yloxy)propanoate
SMILESCCC(C)(CC)OC(C)(C)C(=O)OCCOC(C)C
InChIInChI=1S/C15H30O4/c1-8-15(7,9-2)19-14(5,6)13(16)18-11-10-17-12(3)4/h12H,8-11H2,1-7H3
InChIKeyYSUOPZUZRFHYBE-UHFFFAOYSA-N
MW274.40 g/mol
LogP3.33
Rot. Bonds9

About 2-propan-2-yloxyethyl 2-methyl-2-(3-methylpentan-3-yloxy)propanoate

2-propan-2-yloxyethyl 2-methyl-2-(3-methylpentan-3-yloxy)propanoate (PubChem CID 123797837) has the molecular formula C15H30O4 and a molecular weight of 274.40 g/mol. Its IUPAC name is 2-propan-2-yloxyethyl 2-methyl-2-(3-methylpentan-3-yloxy)propanoate.

Molecular Properties

Compound Name2-propan-2-yloxyethyl 2-methyl-2-(3-methylpentan-3-yloxy)propanoate
PubChem CID123797837
Molecular FormulaC15H30O4
Molecular Weight274.40 g/mol
Exact Mass274.21
IUPAC Name2-propan-2-yloxyethyl 2-methyl-2-(3-methylpentan-3-yloxy)propanoate
SMILESCCC(C)(CC)OC(C)(C)C(=O)OCCOC(C)C
InChIInChI=1S/C15H30O4/c1-8-15(7,9-2)19-14(5,6)13(16)18-11-10-17-12(3)4/h12H,8-11H2,1-7H3
InChIKeyYSUOPZUZRFHYBE-UHFFFAOYSA-N
XLogP3.33
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-propan-2-yloxyethyl 2-methyl-2-(3-methylpentan-3-yloxy)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-propan-2-yloxyethyl 2-[4-[1-(2-butan-2-yloxyethoxy)-2-methyl-1-oxopropan-2-yl]oxybutoxy]-2-methylpropanoate
CID 123975433
2-propan-2-yloxyethyl 2-methyl-2-(2,2,4,4-tetramethylheptoxy)propanoate
CID 135188610
2-propan-2-yloxyethyl 3-methoxy-2,2,3-trimethylbutanoate
CID 123886318
propyl 2-methyl-2-propan-2-yloxypropanoate
CID 174484863
2-propan-2-yloxyethyl N,N-dimethylcarbamate
CID 172528660
2-propan-2-yloxyethyl N-tert-butylcarbamate
CID 174652774
2-[2-[2-(2,2-dimethylbutanoyloxy)ethoxy]propoxy]ethyl 2,2-dimethylbutanoate
CID 170541221
2-ethyl-2-(2-propan-2-yloxyethyl)propanedioic acid
CID 59323519
(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
2-propan-2-yloxyethyl N-aminocarbamate
CID 154208256
2-carbamoyl-2-methyl-4-propan-2-yloxybutanoic acid
CID 114899712
2-(aminomethyl)-2-methyl-4-propan-2-yloxybutan-1-ol
CID 106506251

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxyethyl 2-methyl-2-(3-methylpentan-3-yloxy)propanoate?
The IUPAC name of 2-propan-2-yloxyethyl 2-methyl-2-(3-methylpentan-3-yloxy)propanoate (CID 123797837) is 2-propan-2-yloxyethyl 2-methyl-2-(3-methylpentan-3-yloxy)propanoate.
What is the SMILES notation for 2-propan-2-yloxyethyl 2-methyl-2-(3-methylpentan-3-yloxy)propanoate?
The canonical SMILES for 2-propan-2-yloxyethyl 2-methyl-2-(3-methylpentan-3-yloxy)propanoate is CCC(C)(CC)OC(C)(C)C(=O)OCCOC(C)C.
What is the InChIKey of 2-propan-2-yloxyethyl 2-methyl-2-(3-methylpentan-3-yloxy)propanoate?
The InChIKey is YSUOPZUZRFHYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O4/c1-8-15(7,9-2)19-14(5,6)13(16)18-11-10-17-12(3)4/h12H,8-11H2,1-7H3.
What are the key properties of 2-propan-2-yloxyethyl 2-methyl-2-(3-methylpentan-3-yloxy)propanoate?
2-propan-2-yloxyethyl 2-methyl-2-(3-methylpentan-3-yloxy)propanoate has a molecular weight of 274.40 g/mol, XLogP of 3.33, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxyethyl 2-methyl-2-(3-methylpentan-3-yloxy)propanoate is sourced from PubChem (CID 123797837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).