methyl (2E,5Z)-5-ethylidene-9-methyldeca-2,8-dienoate

C14H22O2 — CID 13227149

IUPACmethyl (2E,5Z)-5-ethylidene-9-methyldeca-2,8-dienoate
SMILESC/C=C(\C/C=C/C(=O)OC)CCC=C(C)C
InChIInChI=1S/C14H22O2/c1-5-13(9-6-8-12(2)3)10-7-11-14(15)16-4/h5,7-8,11H,6,9-10H2,1-4H3/b11-7+,13-5-
InChIKeyUWPYVKPWZHDXOP-FUSRSKSASA-N
MW222.33 g/mol
LogP3.80
Rot. Bonds6

About methyl (2E,5Z)-5-ethylidene-9-methyldeca-2,8-dienoate

methyl (2E,5Z)-5-ethylidene-9-methyldeca-2,8-dienoate (PubChem CID 13227149) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is methyl (2E,5Z)-5-ethylidene-9-methyldeca-2,8-dienoate.

Molecular Properties

Compound Namemethyl (2E,5Z)-5-ethylidene-9-methyldeca-2,8-dienoate
PubChem CID13227149
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Namemethyl (2E,5Z)-5-ethylidene-9-methyldeca-2,8-dienoate
SMILESC/C=C(\C/C=C/C(=O)OC)CCC=C(C)C
InChIInChI=1S/C14H22O2/c1-5-13(9-6-8-12(2)3)10-7-11-14(15)16-4/h5,7-8,11H,6,9-10H2,1-4H3/b11-7+,13-5-
InChIKeyUWPYVKPWZHDXOP-FUSRSKSASA-N
XLogP3.80
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze methyl (2E,5Z)-5-ethylidene-9-methyldeca-2,8-dienoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

diethyl 2-[(2E,5Z)-5-ethylidene-9-methyldeca-2,8-dienyl]propanedioate
CID 102307776
methyl 6-oxohept-2-enoate
CID 71404113
methyl 5-methylhex-4-enoate
CID 10909672
methyl (2E,4E,6E,8E,10E,12E,14E,16E,18E,20E)-4,8,13,17,21,25-hexamethylhexacosa-2,4,6,8,10,12,14,16,18,20,24-undecaenoate
CID 15285539
dimethyl (2E,6E)-3-methylocta-2,6-dienedioate
CID 15749232
4-ethylidene-8-methylnona-1,7-diene;7-methylocta-1,6-diene
CID 161280162
2-ethylidene-6-methylhept-5-en-1-ol
CID 54249540
ethyl (4Z)-4-ethylidene-8-methyl-2-methylidenenon-7-enoate
CID 134858518
ethyl (2E,5E)-6,10-dimethylundeca-2,5,9-trienoate
CID 10847442
methyl 8-oxonon-2-enoate
CID 587965
1-O-methyl 20-O-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl] (2E,4Z,6E,8E,10E,12E,14E,16E,18E)-4,8,13,17-tetramethylicosa-2,4,6,8,10,12,14,16,18-nonaenedioate
CID 100984914
(6E,10E)-10-ethyl-2,6-dimethyldodeca-2,6,10-triene
CID 169000868

Frequently Asked Questions

What is the IUPAC name of methyl (2E,5Z)-5-ethylidene-9-methyldeca-2,8-dienoate?
The IUPAC name of methyl (2E,5Z)-5-ethylidene-9-methyldeca-2,8-dienoate (CID 13227149) is methyl (2E,5Z)-5-ethylidene-9-methyldeca-2,8-dienoate.
What is the SMILES notation for methyl (2E,5Z)-5-ethylidene-9-methyldeca-2,8-dienoate?
The canonical SMILES for methyl (2E,5Z)-5-ethylidene-9-methyldeca-2,8-dienoate is C/C=C(\C/C=C/C(=O)OC)CCC=C(C)C.
What is the InChIKey of methyl (2E,5Z)-5-ethylidene-9-methyldeca-2,8-dienoate?
The InChIKey is UWPYVKPWZHDXOP-FUSRSKSASA-N. The full InChI is InChI=1S/C14H22O2/c1-5-13(9-6-8-12(2)3)10-7-11-14(15)16-4/h5,7-8,11H,6,9-10H2,1-4H3/b11-7+,13-5-.
What are the key properties of methyl (2E,5Z)-5-ethylidene-9-methyldeca-2,8-dienoate?
methyl (2E,5Z)-5-ethylidene-9-methyldeca-2,8-dienoate has a molecular weight of 222.33 g/mol, XLogP of 3.80, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E,5Z)-5-ethylidene-9-methyldeca-2,8-dienoate is sourced from PubChem (CID 13227149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).