methyl (2E)-8-methylidenedeca-2,9-dienoate

C12H18O2 — CID 23727495

IUPACmethyl (2E)-8-methylidenedeca-2,9-dienoate
SMILESC=CC(=C)CCCC/C=C/C(=O)OC
InChIInChI=1S/C12H18O2/c1-4-11(2)9-7-5-6-8-10-12(13)14-3/h4,8,10H,1-2,5-7,9H2,3H3/b10-8+
InChIKeyWYPXADRLLZRHPJ-CSKARUKUSA-N
MW194.27 g/mol
LogP3.02
Rot. Bonds7

About methyl (2E)-8-methylidenedeca-2,9-dienoate

methyl (2E)-8-methylidenedeca-2,9-dienoate (PubChem CID 23727495) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is methyl (2E)-8-methylidenedeca-2,9-dienoate.

Molecular Properties

Compound Namemethyl (2E)-8-methylidenedeca-2,9-dienoate
PubChem CID23727495
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Namemethyl (2E)-8-methylidenedeca-2,9-dienoate
SMILESC=CC(=C)CCCC/C=C/C(=O)OC
InChIInChI=1S/C12H18O2/c1-4-11(2)9-7-5-6-8-10-12(13)14-3/h4,8,10H,1-2,5-7,9H2,3H3/b10-8+
InChIKeyWYPXADRLLZRHPJ-CSKARUKUSA-N
XLogP3.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl (2E)-octadeca-2,17-dienoate
CID 11781391
methyl 8-oxonon-2-enoate
CID 587965
dimethyl undec-2-enedioate
CID 71341268
methyl (2E,8E)-undeca-2,8-dienoate
CID 102118335
methyl (E)-hept-2-enoate
CID 5368087
methyl (2E,11E)-7-oxotetradeca-2,11,13-trienoate
CID 10868711
methyl (Z)-6-chlorohex-2-enoate
CID 12741273
dimethyl (2E,14E)-8,9-dihydroxyhexadeca-2,14-dienedioate
CID 15695640
methyl (2E,5E)-undeca-2,5,10-trienoate
CID 5362640
methyl 6-oxohept-2-enoate
CID 71404113
carbon monoxide;iron;methyl (E)-octadec-2-enoate
CID 11080605
methyl (E)-7-hydroxyoct-2-enoate
CID 11062875

Frequently Asked Questions

What is the IUPAC name of methyl (2E)-8-methylidenedeca-2,9-dienoate?
The IUPAC name of methyl (2E)-8-methylidenedeca-2,9-dienoate (CID 23727495) is methyl (2E)-8-methylidenedeca-2,9-dienoate.
What is the SMILES notation for methyl (2E)-8-methylidenedeca-2,9-dienoate?
The canonical SMILES for methyl (2E)-8-methylidenedeca-2,9-dienoate is C=CC(=C)CCCC/C=C/C(=O)OC.
What is the InChIKey of methyl (2E)-8-methylidenedeca-2,9-dienoate?
The InChIKey is WYPXADRLLZRHPJ-CSKARUKUSA-N. The full InChI is InChI=1S/C12H18O2/c1-4-11(2)9-7-5-6-8-10-12(13)14-3/h4,8,10H,1-2,5-7,9H2,3H3/b10-8+.
What are the key properties of methyl (2E)-8-methylidenedeca-2,9-dienoate?
methyl (2E)-8-methylidenedeca-2,9-dienoate has a molecular weight of 194.27 g/mol, XLogP of 3.02, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E)-8-methylidenedeca-2,9-dienoate is sourced from PubChem (CID 23727495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).