2-ethylhexyl 2,2,4,4-tetramethylpentanoate

C17H34O2 — CID 88906717

IUPAC2-ethylhexyl 2,2,4,4-tetramethylpentanoate
SMILESCCCCC(CC)COC(=O)C(C)(C)CC(C)(C)C
InChIInChI=1S/C17H34O2/c1-8-10-11-14(9-2)12-19-15(18)17(6,7)13-16(3,4)5/h14H,8-13H2,1-7H3
InChIKeyFSPUEGMJWIYAFM-UHFFFAOYSA-N
MW270.46 g/mol
LogP5.21
Rot. Bonds8

About 2-ethylhexyl 2,2,4,4-tetramethylpentanoate

2-ethylhexyl 2,2,4,4-tetramethylpentanoate (PubChem CID 88906717) has the molecular formula C17H34O2 and a molecular weight of 270.46 g/mol. Its IUPAC name is 2-ethylhexyl 2,2,4,4-tetramethylpentanoate.

Molecular Properties

Compound Name2-ethylhexyl 2,2,4,4-tetramethylpentanoate
PubChem CID88906717
Molecular FormulaC17H34O2
Molecular Weight270.46 g/mol
Exact Mass270.26
IUPAC Name2-ethylhexyl 2,2,4,4-tetramethylpentanoate
SMILESCCCCC(CC)COC(=O)C(C)(C)CC(C)(C)C
InChIInChI=1S/C17H34O2/c1-8-10-11-14(9-2)12-19-15(18)17(6,7)13-16(3,4)5/h14H,8-13H2,1-7H3
InChIKeyFSPUEGMJWIYAFM-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

Analyze 2-ethylhexyl 2,2,4,4-tetramethylpentanoate 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-ethylhexyl 2-amino-2-methylbutanoate
CID 79799240
2-ethylhexyl 2,4-dihydroxy-2-methyl-3-oxopentanoate
CID 87194850
1-O-(2-ethylhexyl) 3-O-hexadecyl 2,2-dimethylpropanedioate
CID 91714525
2-ethylhexyl 2,2-dimethylbutanoate;nonan-3-yl 2,2-dimethylbutanoate
CID 90910622
2-ethylhexyl (Z)-2-ethyl-2-methylpent-3-enoate
CID 88901213
2-ethylhexyl 2,4,4-trimethylpentan-2-ylperoxy carbonate
CID 139968242
2-ethylhexyl 2,2,3,3,4,4,4-heptafluorobutanoate
CID 14598735
1-O-[(2S)-2-ethylhexyl] 4-O-[(2R)-2-ethylhexyl] (E)-but-2-enedioate
CID 42587879
[(2R)-2-ethylhexoxy]carbonyloxy [(2S)-2-ethylhexyl] carbonate
CID 94863795
2-(2-ethylhexoxy)-1,1-difluoro-2-oxoethanesulfonic acid
CID 58021572
2-ethylhexyl (2S)-2-amino-3-methylbutanoate
CID 61302679
2-ethylhexyl 2-methylbutanoate
CID 3023949

Frequently Asked Questions

What is the IUPAC name of 2-ethylhexyl 2,2,4,4-tetramethylpentanoate?
The IUPAC name of 2-ethylhexyl 2,2,4,4-tetramethylpentanoate (CID 88906717) is 2-ethylhexyl 2,2,4,4-tetramethylpentanoate.
What is the SMILES notation for 2-ethylhexyl 2,2,4,4-tetramethylpentanoate?
The canonical SMILES for 2-ethylhexyl 2,2,4,4-tetramethylpentanoate is CCCCC(CC)COC(=O)C(C)(C)CC(C)(C)C.
What is the InChIKey of 2-ethylhexyl 2,2,4,4-tetramethylpentanoate?
The InChIKey is FSPUEGMJWIYAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O2/c1-8-10-11-14(9-2)12-19-15(18)17(6,7)13-16(3,4)5/h14H,8-13H2,1-7H3.
What are the key properties of 2-ethylhexyl 2,2,4,4-tetramethylpentanoate?
2-ethylhexyl 2,2,4,4-tetramethylpentanoate 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 2-ethylhexyl 2,2,4,4-tetramethylpentanoate is sourced from PubChem (CID 88906717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).