ethyl 2-ethenyl-2-methylnon-8-enoate

C14H24O2 — CID 107007961

IUPACethyl 2-ethenyl-2-methylnon-8-enoate
SMILESC=CCCCCCC(C)(C=C)C(=O)OCC
InChIInChI=1S/C14H24O2/c1-5-8-9-10-11-12-14(4,6-2)13(15)16-7-3/h5-6H,1-2,7-12H2,3-4H3
InChIKeyIHSNGIJVXGAFTA-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.88
Rot. Bonds9

About ethyl 2-ethenyl-2-methylnon-8-enoate

ethyl 2-ethenyl-2-methylnon-8-enoate (PubChem CID 107007961) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is ethyl 2-ethenyl-2-methylnon-8-enoate.

Molecular Properties

Compound Nameethyl 2-ethenyl-2-methylnon-8-enoate
PubChem CID107007961
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Nameethyl 2-ethenyl-2-methylnon-8-enoate
SMILESC=CCCCCCC(C)(C=C)C(=O)OCC
InChIInChI=1S/C14H24O2/c1-5-8-9-10-11-12-14(4,6-2)13(15)16-7-3/h5-6H,1-2,7-12H2,3-4H3
InChIKeyIHSNGIJVXGAFTA-UHFFFAOYSA-N
XLogP3.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.88
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

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pentyl 2-ethenyl-2-methylheptanoate
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ethyl (3E)-2,2-dihydroxytetracosa-3,23-dienoate
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ethyl 2,2-dimethylhex-5-enoate
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ethyl 2-methyl-2-(2-propan-2-ylsulfonylethyl)but-3-enoate
CID 106727890
ethyl hex-5-enyl carbonate
CID 45140691
diethyl 2-amino-2-but-3-enylpropanedioate
CID 62705267
ethyl (2Z)-deca-2,9-dienoate
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2-amino-2-methyldec-9-enoic acid
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethenyl-2-methylnon-8-enoate?
The IUPAC name of ethyl 2-ethenyl-2-methylnon-8-enoate (CID 107007961) is ethyl 2-ethenyl-2-methylnon-8-enoate.
What is the SMILES notation for ethyl 2-ethenyl-2-methylnon-8-enoate?
The canonical SMILES for ethyl 2-ethenyl-2-methylnon-8-enoate is C=CCCCCCC(C)(C=C)C(=O)OCC.
What is the InChIKey of ethyl 2-ethenyl-2-methylnon-8-enoate?
The InChIKey is IHSNGIJVXGAFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-5-8-9-10-11-12-14(4,6-2)13(15)16-7-3/h5-6H,1-2,7-12H2,3-4H3.
What are the key properties of ethyl 2-ethenyl-2-methylnon-8-enoate?
ethyl 2-ethenyl-2-methylnon-8-enoate has a molecular weight of 224.34 g/mol, XLogP of 3.88, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethenyl-2-methylnon-8-enoate is sourced from PubChem (CID 107007961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).