methyl 2,4-diethyl-4-methyl-2-(2-methylbutan-2-yl)hexanoate

C17H34O2 — CID 121299130

IUPACmethyl 2,4-diethyl-4-methyl-2-(2-methylbutan-2-yl)hexanoate
SMILESCCC(C)(CC)CC(CC)(C(=O)OC)C(C)(C)CC
InChIInChI=1S/C17H34O2/c1-9-15(5,6)17(12-4,14(18)19-8)13-16(7,10-2)11-3/h9-13H2,1-8H3
InChIKeyIJFKRGZKCRFRQG-UHFFFAOYSA-N
MW270.46 g/mol
LogP5.21
Rot. Bonds8

About methyl 2,4-diethyl-4-methyl-2-(2-methylbutan-2-yl)hexanoate

methyl 2,4-diethyl-4-methyl-2-(2-methylbutan-2-yl)hexanoate (PubChem CID 121299130) has the molecular formula C17H34O2 and a molecular weight of 270.46 g/mol. Its IUPAC name is methyl 2,4-diethyl-4-methyl-2-(2-methylbutan-2-yl)hexanoate.

Molecular Properties

Compound Namemethyl 2,4-diethyl-4-methyl-2-(2-methylbutan-2-yl)hexanoate
PubChem CID121299130
Molecular FormulaC17H34O2
Molecular Weight270.46 g/mol
Exact Mass270.26
IUPAC Namemethyl 2,4-diethyl-4-methyl-2-(2-methylbutan-2-yl)hexanoate
SMILESCCC(C)(CC)CC(CC)(C(=O)OC)C(C)(C)CC
InChIInChI=1S/C17H34O2/c1-9-15(5,6)17(12-4,14(18)19-8)13-16(7,10-2)11-3/h9-13H2,1-8H3
InChIKeyIJFKRGZKCRFRQG-UHFFFAOYSA-N
XLogP5.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.46
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-ethyl-3,3-dimethyl-2-(2-methylpropyl)pentanoate
CID 88933353
2,2,3-triethyl-3-methoxycarbonylpentanoic acid
CID 171384079
methane;methyl 2-ethyl-2,3,3-trimethylpentanoate
CID 161314197
methyl (3R)-3-ethyl-2-(2-ethyl-2-methylbutyl)-2,3-dimethylhexanoate
CID 89205198
methyl 2,4-dimethyl-2-(2-methylbutan-2-yl)-4-sulfanylhexanoate
CID 90212477
methane;methyl 2,2-dimethylbutanoate
CID 161256043
methyl 2,2-dimethylbutanoate;2,3,3-trimethyl-2-methylpentane
CID 91036824
methyl 2-ethoxy-2-ethyl-3-oxobutanoate
CID 174889693
trimethyl 1,1,3,5-tetramethylheptane-1,3,5-tricarboxylate
CID 59972134
methane;methyl 2,2-dimethylbutanoate;molecular iodine
CID 158792911
methyl (2S)-2-ethyl-2-methyl-3-oxobutanoate
CID 131227877
6-ethyl-4-methoxycarbonyl-2-methyl-7-oxo-2,4,6-tris(triiodomethyl)octanoic acid
CID 59927347

Frequently Asked Questions

What is the IUPAC name of methyl 2,4-diethyl-4-methyl-2-(2-methylbutan-2-yl)hexanoate?
The IUPAC name of methyl 2,4-diethyl-4-methyl-2-(2-methylbutan-2-yl)hexanoate (CID 121299130) is methyl 2,4-diethyl-4-methyl-2-(2-methylbutan-2-yl)hexanoate.
What is the SMILES notation for methyl 2,4-diethyl-4-methyl-2-(2-methylbutan-2-yl)hexanoate?
The canonical SMILES for methyl 2,4-diethyl-4-methyl-2-(2-methylbutan-2-yl)hexanoate is CCC(C)(CC)CC(CC)(C(=O)OC)C(C)(C)CC.
What is the InChIKey of methyl 2,4-diethyl-4-methyl-2-(2-methylbutan-2-yl)hexanoate?
The InChIKey is IJFKRGZKCRFRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O2/c1-9-15(5,6)17(12-4,14(18)19-8)13-16(7,10-2)11-3/h9-13H2,1-8H3.
What are the key properties of methyl 2,4-diethyl-4-methyl-2-(2-methylbutan-2-yl)hexanoate?
methyl 2,4-diethyl-4-methyl-2-(2-methylbutan-2-yl)hexanoate has a molecular weight of 270.46 g/mol, XLogP of 5.21, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,4-diethyl-4-methyl-2-(2-methylbutan-2-yl)hexanoate is sourced from PubChem (CID 121299130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).