ethyl (Z)-3-methyl-2-prop-2-enylnon-2-enoate

C15H26O2 — CID 132536226

IUPACethyl (Z)-3-methyl-2-prop-2-enylnon-2-enoate
SMILESC=CC/C(C(=O)OCC)=C(\C)CCCCCC
InChIInChI=1S/C15H26O2/c1-5-8-9-10-12-13(4)14(11-6-2)15(16)17-7-3/h6H,2,5,7-12H2,1,3-4H3/b14-13-
InChIKeyFUJSNGSDNJLHAB-YPKPFQOOSA-N
MW238.37 g/mol
LogP4.41
Rot. Bonds9

About ethyl (Z)-3-methyl-2-prop-2-enylnon-2-enoate

ethyl (Z)-3-methyl-2-prop-2-enylnon-2-enoate (PubChem CID 132536226) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is ethyl (Z)-3-methyl-2-prop-2-enylnon-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-3-methyl-2-prop-2-enylnon-2-enoate
PubChem CID132536226
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Nameethyl (Z)-3-methyl-2-prop-2-enylnon-2-enoate
SMILESC=CC/C(C(=O)OCC)=C(\C)CCCCCC
InChIInChI=1S/C15H26O2/c1-5-8-9-10-12-13(4)14(11-6-2)15(16)17-7-3/h6H,2,5,7-12H2,1,3-4H3/b14-13-
InChIKeyFUJSNGSDNJLHAB-YPKPFQOOSA-N
XLogP4.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.41
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

diethyl (Z)-2-heptyl-3-pentylbut-2-enedioate
CID 88549280
2-pentyl-3-prop-2-enylbut-2-enedioic acid
CID 173366116
3-ethoxycarbonyl-2-ethylnon-2-enoic acid
CID 154262038
ethyl 2-methylideneicosanoate
CID 22336431
(2E)-2-(2-ethoxy-1-hydroxy-2-oxoethylidene)hexadecanoic acid
CID 54721862
ethene;ethyl 2-methylideneoctanoate
CID 87556875
prop-2-enyl 2-oxooctadecanoate
CID 140945960
ethyl 2-propan-2-ylidenehexanoate
CID 12572598
ethyl (Z)-3-methylundec-2-enoate
CID 89095878
methyl 2-ethyl-3-methylnonadec-2-enoate
CID 175468450
ethyl 2-(fluoromethylidene)octanoate
CID 175267988
diethyl (Z)-2,3-dibutylbut-2-enedioate;stannane
CID 173106859

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-3-methyl-2-prop-2-enylnon-2-enoate?
The IUPAC name of ethyl (Z)-3-methyl-2-prop-2-enylnon-2-enoate (CID 132536226) is ethyl (Z)-3-methyl-2-prop-2-enylnon-2-enoate.
What is the SMILES notation for ethyl (Z)-3-methyl-2-prop-2-enylnon-2-enoate?
The canonical SMILES for ethyl (Z)-3-methyl-2-prop-2-enylnon-2-enoate is C=CC/C(C(=O)OCC)=C(\C)CCCCCC.
What is the InChIKey of ethyl (Z)-3-methyl-2-prop-2-enylnon-2-enoate?
The InChIKey is FUJSNGSDNJLHAB-YPKPFQOOSA-N. The full InChI is InChI=1S/C15H26O2/c1-5-8-9-10-12-13(4)14(11-6-2)15(16)17-7-3/h6H,2,5,7-12H2,1,3-4H3/b14-13-.
What are the key properties of ethyl (Z)-3-methyl-2-prop-2-enylnon-2-enoate?
ethyl (Z)-3-methyl-2-prop-2-enylnon-2-enoate has a molecular weight of 238.37 g/mol, XLogP of 4.41, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-3-methyl-2-prop-2-enylnon-2-enoate is sourced from PubChem (CID 132536226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).