tert-butyl 2-ethylnon-7-enoate

C15H28O2 — CID 141062972

IUPACtert-butyl 2-ethylnon-7-enoate
SMILESCC=CCCCCC(CC)C(=O)OC(C)(C)C
InChIInChI=1S/C15H28O2/c1-6-8-9-10-11-12-13(7-2)14(16)17-15(3,4)5/h6,8,13H,7,9-12H2,1-5H3
InChIKeyGWWKNKUBRWLTRV-UHFFFAOYSA-N
MW240.39 g/mol
LogP4.49
Rot. Bonds7

About tert-butyl 2-ethylnon-7-enoate

tert-butyl 2-ethylnon-7-enoate (PubChem CID 141062972) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is tert-butyl 2-ethylnon-7-enoate.

Molecular Properties

Compound Nametert-butyl 2-ethylnon-7-enoate
PubChem CID141062972
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Nametert-butyl 2-ethylnon-7-enoate
SMILESCC=CCCCCC(CC)C(=O)OC(C)(C)C
InChIInChI=1S/C15H28O2/c1-6-8-9-10-11-12-13(7-2)14(16)17-15(3,4)5/h6,8,13H,7,9-12H2,1-5H3
InChIKeyGWWKNKUBRWLTRV-UHFFFAOYSA-N
XLogP4.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 2-propylnon-7-enoate
CID 175432336
tert-butyl 2-butylnon-7-enoate
CID 175548594
tert-butyl 2-ethylhex-4-enoate
CID 141287366
2-ethylnon-7-enoic acid
CID 143730555
tert-butyl 2-ethylnonanoate;ethane
CID 175268802
2-methyl-7-[(2-methylpropan-2-yl)oxycarbonyl]nonanoic acid
CID 175591882
benzyl 2-ethylnon-7-enoate
CID 151050476
2-[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oct-6-enoic acid
CID 175259858
[(Z)-2-ethyloct-6-enoyl] (Z)-2-propylhept-5-enoate
CID 175339992
tert-butyl 2-(hydroxymethyl)butanoate
CID 87790819
tert-butyl (2S)-2-(aminomethyl)butanoate
CID 129371399
tert-butyl 2-butyloctanoate
CID 141041345

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-ethylnon-7-enoate?
The IUPAC name of tert-butyl 2-ethylnon-7-enoate (CID 141062972) is tert-butyl 2-ethylnon-7-enoate.
What is the SMILES notation for tert-butyl 2-ethylnon-7-enoate?
The canonical SMILES for tert-butyl 2-ethylnon-7-enoate is CC=CCCCCC(CC)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-ethylnon-7-enoate?
The InChIKey is GWWKNKUBRWLTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-6-8-9-10-11-12-13(7-2)14(16)17-15(3,4)5/h6,8,13H,7,9-12H2,1-5H3.
What are the key properties of tert-butyl 2-ethylnon-7-enoate?
tert-butyl 2-ethylnon-7-enoate has a molecular weight of 240.39 g/mol, XLogP of 4.49, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-ethylnon-7-enoate is sourced from PubChem (CID 141062972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).