2,3-dimethylbutan-2-yl 2-ethyl-4,4-dimethylpentanoate

C15H30O2 — CID 123149081

IUPAC2,3-dimethylbutan-2-yl 2-ethyl-4,4-dimethylpentanoate
SMILESCCC(CC(C)(C)C)C(=O)OC(C)(C)C(C)C
InChIInChI=1S/C15H30O2/c1-9-12(10-14(4,5)6)13(16)17-15(7,8)11(2)3/h11-12H,9-10H2,1-8H3
InChIKeyXAIMUYQUJJCFDX-UHFFFAOYSA-N
MW242.40 g/mol
LogP4.43
Rot. Bonds5

About 2,3-dimethylbutan-2-yl 2-ethyl-4,4-dimethylpentanoate

2,3-dimethylbutan-2-yl 2-ethyl-4,4-dimethylpentanoate (PubChem CID 123149081) has the molecular formula C15H30O2 and a molecular weight of 242.40 g/mol. Its IUPAC name is 2,3-dimethylbutan-2-yl 2-ethyl-4,4-dimethylpentanoate.

Molecular Properties

Compound Name2,3-dimethylbutan-2-yl 2-ethyl-4,4-dimethylpentanoate
PubChem CID123149081
Molecular FormulaC15H30O2
Molecular Weight242.40 g/mol
Exact Mass242.22
IUPAC Name2,3-dimethylbutan-2-yl 2-ethyl-4,4-dimethylpentanoate
SMILESCCC(CC(C)(C)C)C(=O)OC(C)(C)C(C)C
InChIInChI=1S/C15H30O2/c1-9-12(10-14(4,5)6)13(16)17-15(7,8)11(2)3/h11-12H,9-10H2,1-8H3
InChIKeyXAIMUYQUJJCFDX-UHFFFAOYSA-N
XLogP4.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.40
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl (2S)-2-(aminomethyl)butanoate
CID 129371399
tert-butyl 2-(hydroxymethyl)butanoate
CID 87790819
2,3-dimethylbutan-2-yl carbamate
CID 20975410
tert-butyl 2-ethylhex-4-enoate
CID 141287366
tert-butyl 2,4,4-trimethylpentanoate
CID 89244409
2-ethyl-N,4,4-trimethylpentanamide;propane
CID 144536587
2-ethyl-N-[[(2-ethyl-4,4-dimethylpentanoyl)amino]methyl]-4,4-dimethylpentanamide
CID 166866622
2-methyl-7-[(2-methylpropan-2-yl)oxycarbonyl]nonanoic acid
CID 175591882
2,3-dimethylbutan-2-yl 2,4-dimethyl-2-propan-2-ylpentanoate
CID 90329075
2-ethyl-4-hydroxy-4,5-dimethylhexanoic acid
CID 114495170
methyl (2S)-2,4,4-trimethylpentanoate
CID 87851935
tert-butyl (2R)-2-aminobutanoate
CID 13283520

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylbutan-2-yl 2-ethyl-4,4-dimethylpentanoate?
The IUPAC name of 2,3-dimethylbutan-2-yl 2-ethyl-4,4-dimethylpentanoate (CID 123149081) is 2,3-dimethylbutan-2-yl 2-ethyl-4,4-dimethylpentanoate.
What is the SMILES notation for 2,3-dimethylbutan-2-yl 2-ethyl-4,4-dimethylpentanoate?
The canonical SMILES for 2,3-dimethylbutan-2-yl 2-ethyl-4,4-dimethylpentanoate is CCC(CC(C)(C)C)C(=O)OC(C)(C)C(C)C.
What is the InChIKey of 2,3-dimethylbutan-2-yl 2-ethyl-4,4-dimethylpentanoate?
The InChIKey is XAIMUYQUJJCFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O2/c1-9-12(10-14(4,5)6)13(16)17-15(7,8)11(2)3/h11-12H,9-10H2,1-8H3.
What are the key properties of 2,3-dimethylbutan-2-yl 2-ethyl-4,4-dimethylpentanoate?
2,3-dimethylbutan-2-yl 2-ethyl-4,4-dimethylpentanoate has a molecular weight of 242.40 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbutan-2-yl 2-ethyl-4,4-dimethylpentanoate is sourced from PubChem (CID 123149081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).