tert-butyl 2,3,3-trimethyl-2-(2-methylpropyl)pentanoate

C16H32O2 — CID 88590008

IUPACtert-butyl 2,3,3-trimethyl-2-(2-methylpropyl)pentanoate
SMILESCCC(C)(C)C(C)(CC(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C16H32O2/c1-10-15(7,8)16(9,11-12(2)3)13(17)18-14(4,5)6/h12H,10-11H2,1-9H3
InChIKeyKCYFORTZQRDYCP-UHFFFAOYSA-N
MW256.43 g/mol
LogP4.82
Rot. Bonds5

About tert-butyl 2,3,3-trimethyl-2-(2-methylpropyl)pentanoate

tert-butyl 2,3,3-trimethyl-2-(2-methylpropyl)pentanoate (PubChem CID 88590008) has the molecular formula C16H32O2 and a molecular weight of 256.43 g/mol. Its IUPAC name is tert-butyl 2,3,3-trimethyl-2-(2-methylpropyl)pentanoate.

Molecular Properties

Compound Nametert-butyl 2,3,3-trimethyl-2-(2-methylpropyl)pentanoate
PubChem CID88590008
Molecular FormulaC16H32O2
Molecular Weight256.43 g/mol
Exact Mass256.24
IUPAC Nametert-butyl 2,3,3-trimethyl-2-(2-methylpropyl)pentanoate
SMILESCCC(C)(C)C(C)(CC(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C16H32O2/c1-10-15(7,8)16(9,11-12(2)3)13(17)18-14(4,5)6/h12H,10-11H2,1-9H3
InChIKeyKCYFORTZQRDYCP-UHFFFAOYSA-N
XLogP4.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl 2-ethyl-2,4-dimethylpentanoate
CID 90805514
tert-butyl 2,2,4-trimethylpentanoate
CID 91303202
[3-ethyl-1-oxo-1-(2,2,2-trifluoroethoxy)pentan-3-yl] 2,3,3-trimethyl-2-(2-methylpropyl)pentanoate
CID 89367169
cyclohexyl 2,3,3-trimethyl-2-(2-methylpropyl)pentanoate
CID 71201522
3-O-tert-butyl 1-O-methyl 2-amino-2-(2-methylpropyl)propanedioate
CID 142841026
tert-butyl (2R)-2-(aminomethyl)-2-methylbutanoate
CID 124571858
tert-butyl 2-amino-2-methylbutanoate
CID 57065148
tert-butyl 2-methyl-2-(trifluoromethyl)butanoate;2,2,4-trimethylhexane
CID 169428052
tert-butyl 2,5-diamino-4,4-difluoro-2-(2-methylpropyl)-3-oxopentanoate
CID 57285169
methyl 2-ethyl-3,3-dimethyl-2-(2-methylpropyl)pentanoate
CID 88933353
(2S)-4-methyl-2-(methylamino)-2-[(2-methylpropan-2-yl)oxycarbonyl]pentanoic acid
CID 122703475
tert-butyl 2-(chloromethyl)-2-methylbutanoate
CID 158378960

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2,3,3-trimethyl-2-(2-methylpropyl)pentanoate?
The IUPAC name of tert-butyl 2,3,3-trimethyl-2-(2-methylpropyl)pentanoate (CID 88590008) is tert-butyl 2,3,3-trimethyl-2-(2-methylpropyl)pentanoate.
What is the SMILES notation for tert-butyl 2,3,3-trimethyl-2-(2-methylpropyl)pentanoate?
The canonical SMILES for tert-butyl 2,3,3-trimethyl-2-(2-methylpropyl)pentanoate is CCC(C)(C)C(C)(CC(C)C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2,3,3-trimethyl-2-(2-methylpropyl)pentanoate?
The InChIKey is KCYFORTZQRDYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O2/c1-10-15(7,8)16(9,11-12(2)3)13(17)18-14(4,5)6/h12H,10-11H2,1-9H3.
What are the key properties of tert-butyl 2,3,3-trimethyl-2-(2-methylpropyl)pentanoate?
tert-butyl 2,3,3-trimethyl-2-(2-methylpropyl)pentanoate has a molecular weight of 256.43 g/mol, XLogP of 4.82, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2,3,3-trimethyl-2-(2-methylpropyl)pentanoate is sourced from PubChem (CID 88590008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).