2-methylpropyl 5-ethyl-2-methylnon-2-enoate

C16H30O2 — CID 173363777

IUPAC2-methylpropyl 5-ethyl-2-methylnon-2-enoate
SMILESCCCCC(CC)CC=C(C)C(=O)OCC(C)C
InChIInChI=1S/C16H30O2/c1-6-8-9-15(7-2)11-10-14(5)16(17)18-12-13(3)4/h10,13,15H,6-9,11-12H2,1-5H3
InChIKeyWVTRMQZCYLHUPO-UHFFFAOYSA-N
MW254.41 g/mol
LogP4.74
Rot. Bonds9

About 2-methylpropyl 5-ethyl-2-methylnon-2-enoate

2-methylpropyl 5-ethyl-2-methylnon-2-enoate (PubChem CID 173363777) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is 2-methylpropyl 5-ethyl-2-methylnon-2-enoate.

Molecular Properties

Compound Name2-methylpropyl 5-ethyl-2-methylnon-2-enoate
PubChem CID173363777
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Name2-methylpropyl 5-ethyl-2-methylnon-2-enoate
SMILESCCCCC(CC)CC=C(C)C(=O)OCC(C)C
InChIInChI=1S/C16H30O2/c1-6-8-9-15(7-2)11-10-14(5)16(17)18-12-13(3)4/h10,13,15H,6-9,11-12H2,1-5H3
InChIKeyWVTRMQZCYLHUPO-UHFFFAOYSA-N
XLogP4.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.41
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-ethylhexyl 5-hydroxy-2-methylhex-2-enoate
CID 91537636
tert-butyl 5-ethyl-2-methylnon-2-enoate
CID 57281876
5-(2-ethylhexoxy)-4-methyl-5-oxopent-3-enoic acid
CID 174188806
ethane-1,2-diol;5-ethyl-2-methylnon-2-enoic acid
CID 173238030
5-ethyl-2-methylheptadec-2-enoic acid
CID 123385877
(3-cyclohexyl-2-methylprop-2-enoyl) 5-ethyl-2-methylnon-2-enoate
CID 173177503
2-ethylhexyl 3,3-difluoro-2-methylprop-2-enoate
CID 156788962
6-O-tert-butyl 1-O-(2-ethylhexyl) (2E,4E)-2,5-dimethylhexa-2,4-dienedioate
CID 139812340
[(2S)-2-ethylhexyl] 2-methylprop-2-enoate
CID 6993188
2-hydroxypropyl 5-hydroxy-2-methylhept-2-enoate
CID 57065563
7-O-(2-ethylhexyl) 1-O-(2-methylpropyl) heptanedioate
CID 91718206
2-hydroxypropyl 2-methylpentadec-2-enoate
CID 57297679

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 5-ethyl-2-methylnon-2-enoate?
The IUPAC name of 2-methylpropyl 5-ethyl-2-methylnon-2-enoate (CID 173363777) is 2-methylpropyl 5-ethyl-2-methylnon-2-enoate.
What is the SMILES notation for 2-methylpropyl 5-ethyl-2-methylnon-2-enoate?
The canonical SMILES for 2-methylpropyl 5-ethyl-2-methylnon-2-enoate is CCCCC(CC)CC=C(C)C(=O)OCC(C)C.
What is the InChIKey of 2-methylpropyl 5-ethyl-2-methylnon-2-enoate?
The InChIKey is WVTRMQZCYLHUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2/c1-6-8-9-15(7-2)11-10-14(5)16(17)18-12-13(3)4/h10,13,15H,6-9,11-12H2,1-5H3.
What are the key properties of 2-methylpropyl 5-ethyl-2-methylnon-2-enoate?
2-methylpropyl 5-ethyl-2-methylnon-2-enoate has a molecular weight of 254.41 g/mol, XLogP of 4.74, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 5-ethyl-2-methylnon-2-enoate is sourced from PubChem (CID 173363777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).