ethyl 2-ethenyl-4-ethyl-2-methyloctanoate

C15H28O2 — CID 102638961

IUPACethyl 2-ethenyl-4-ethyl-2-methyloctanoate
SMILESC=CC(C)(CC(CC)CCCC)C(=O)OCC
InChIInChI=1S/C15H28O2/c1-6-10-11-13(7-2)12-15(5,8-3)14(16)17-9-4/h8,13H,3,6-7,9-12H2,1-2,4-5H3
InChIKeyWBYQGHYTDXAPIF-UHFFFAOYSA-N
MW240.39 g/mol
LogP4.35
Rot. Bonds9

About ethyl 2-ethenyl-4-ethyl-2-methyloctanoate

ethyl 2-ethenyl-4-ethyl-2-methyloctanoate (PubChem CID 102638961) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is ethyl 2-ethenyl-4-ethyl-2-methyloctanoate.

Molecular Properties

Compound Nameethyl 2-ethenyl-4-ethyl-2-methyloctanoate
PubChem CID102638961
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Nameethyl 2-ethenyl-4-ethyl-2-methyloctanoate
SMILESC=CC(C)(CC(CC)CCCC)C(=O)OCC
InChIInChI=1S/C15H28O2/c1-6-10-11-13(7-2)12-15(5,8-3)14(16)17-9-4/h8,13H,3,6-7,9-12H2,1-2,4-5H3
InChIKeyWBYQGHYTDXAPIF-UHFFFAOYSA-N
XLogP4.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-ethylhexyl (Z)-2-ethyl-2-methylpent-3-enoate
CID 88901213
ethyl 2-ethenyl-2,5,5-trimethylhexanoate
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CID 152731063
ethyl 2-(2-fluoroethyl)-2-methylbut-3-enoate
CID 102639291
ethyl 2-ethenyl-2-ethylhexanoate
CID 12647087
[(2S)-2-ethylhexyl] prop-2-enoate
CID 6994086
4-ethyl-2-methyl-2-propan-2-yloctanoic acid
CID 83148291
ethyl 2-ethenyl-2-methylnon-8-enoate
CID 107007961
2-(2-ethylhexyl)-2-methylpropanedioyl dichloride
CID 59838559
ethyl 2-ethylhexyl carbonate
CID 54194012
tris[[4-ethyl-2,2-bis(2-ethylhexyl)octanoyl]oxy]stannyl 4-ethyl-2,2-bis(2-ethylhexyl)octanoate
CID 141476577
pentyl 2-ethenyl-2-methylheptanoate
CID 87812089

Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethenyl-4-ethyl-2-methyloctanoate?
The IUPAC name of ethyl 2-ethenyl-4-ethyl-2-methyloctanoate (CID 102638961) is ethyl 2-ethenyl-4-ethyl-2-methyloctanoate.
What is the SMILES notation for ethyl 2-ethenyl-4-ethyl-2-methyloctanoate?
The canonical SMILES for ethyl 2-ethenyl-4-ethyl-2-methyloctanoate is C=CC(C)(CC(CC)CCCC)C(=O)OCC.
What is the InChIKey of ethyl 2-ethenyl-4-ethyl-2-methyloctanoate?
The InChIKey is WBYQGHYTDXAPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-6-10-11-13(7-2)12-15(5,8-3)14(16)17-9-4/h8,13H,3,6-7,9-12H2,1-2,4-5H3.
What are the key properties of ethyl 2-ethenyl-4-ethyl-2-methyloctanoate?
ethyl 2-ethenyl-4-ethyl-2-methyloctanoate has a molecular weight of 240.39 g/mol, XLogP of 4.35, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethenyl-4-ethyl-2-methyloctanoate is sourced from PubChem (CID 102638961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).