2-propan-2-yloxyethyl 2-methyl-2-(2,2,4,4-tetramethylheptoxy)propanoate

C20H40O4 — CID 135188610

IUPAC2-propan-2-yloxyethyl 2-methyl-2-(2,2,4,4-tetramethylheptoxy)propanoate
SMILESCCCC(C)(C)CC(C)(C)COC(C)(C)C(=O)OCCOC(C)C
InChIInChI=1S/C20H40O4/c1-10-11-18(4,5)14-19(6,7)15-24-20(8,9)17(21)23-13-12-22-16(2)3/h16H,10-15H2,1-9H3
InChIKeyAKLVSYXJUWIRMM-UHFFFAOYSA-N
MW344.54 g/mol
LogP4.99
Rot. Bonds12

About 2-propan-2-yloxyethyl 2-methyl-2-(2,2,4,4-tetramethylheptoxy)propanoate

2-propan-2-yloxyethyl 2-methyl-2-(2,2,4,4-tetramethylheptoxy)propanoate (PubChem CID 135188610) has the molecular formula C20H40O4 and a molecular weight of 344.54 g/mol. Its IUPAC name is 2-propan-2-yloxyethyl 2-methyl-2-(2,2,4,4-tetramethylheptoxy)propanoate.

Molecular Properties

Compound Name2-propan-2-yloxyethyl 2-methyl-2-(2,2,4,4-tetramethylheptoxy)propanoate
PubChem CID135188610
Molecular FormulaC20H40O4
Molecular Weight344.54 g/mol
Exact Mass344.29
IUPAC Name2-propan-2-yloxyethyl 2-methyl-2-(2,2,4,4-tetramethylheptoxy)propanoate
SMILESCCCC(C)(C)CC(C)(C)COC(C)(C)C(=O)OCCOC(C)C
InChIInChI=1S/C20H40O4/c1-10-11-18(4,5)14-19(6,7)15-24-20(8,9)17(21)23-13-12-22-16(2)3/h16H,10-15H2,1-9H3
InChIKeyAKLVSYXJUWIRMM-UHFFFAOYSA-N
XLogP4.99
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.54
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxyethyl 2-methyl-2-(2,2,4,4-tetramethylheptoxy)propanoate?
The IUPAC name of 2-propan-2-yloxyethyl 2-methyl-2-(2,2,4,4-tetramethylheptoxy)propanoate (CID 135188610) is 2-propan-2-yloxyethyl 2-methyl-2-(2,2,4,4-tetramethylheptoxy)propanoate.
What is the SMILES notation for 2-propan-2-yloxyethyl 2-methyl-2-(2,2,4,4-tetramethylheptoxy)propanoate?
The canonical SMILES for 2-propan-2-yloxyethyl 2-methyl-2-(2,2,4,4-tetramethylheptoxy)propanoate is CCCC(C)(C)CC(C)(C)COC(C)(C)C(=O)OCCOC(C)C.
What is the InChIKey of 2-propan-2-yloxyethyl 2-methyl-2-(2,2,4,4-tetramethylheptoxy)propanoate?
The InChIKey is AKLVSYXJUWIRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40O4/c1-10-11-18(4,5)14-19(6,7)15-24-20(8,9)17(21)23-13-12-22-16(2)3/h16H,10-15H2,1-9H3.
What are the key properties of 2-propan-2-yloxyethyl 2-methyl-2-(2,2,4,4-tetramethylheptoxy)propanoate?
2-propan-2-yloxyethyl 2-methyl-2-(2,2,4,4-tetramethylheptoxy)propanoate has a molecular weight of 344.54 g/mol, XLogP of 4.99, 12 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-(2,2,4,4-tetramethylheptoxy)propanoate is sourced from PubChem (CID 135188610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).