methyl (2E,4Z)-deca-2,4-dienoate

C11H18O2 — CID 6436336

IUPACmethyl (2E,4Z)-deca-2,4-dienoate
SMILESCCCCC/C=C\C=C\C(=O)OC
InChIInChI=1S/C11H18O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h7-10H,3-6H2,1-2H3/b8-7-,10-9+
InChIKeySFHSEXGIVSBRRK-UQGDGPGGSA-N
MW182.26 g/mol
LogP2.85
Rot. Bonds6

About methyl (2E,4Z)-deca-2,4-dienoate

methyl (2E,4Z)-deca-2,4-dienoate (PubChem CID 6436336) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is methyl (2E,4Z)-deca-2,4-dienoate.

Molecular Properties

Compound Namemethyl (2E,4Z)-deca-2,4-dienoate
PubChem CID6436336
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Namemethyl (2E,4Z)-deca-2,4-dienoate
SMILESCCCCC/C=C\C=C\C(=O)OC
InChIInChI=1S/C11H18O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h7-10H,3-6H2,1-2H3/b8-7-,10-9+
InChIKeySFHSEXGIVSBRRK-UQGDGPGGSA-N
XLogP2.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.85
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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Frequently Asked Questions

What is the IUPAC name of methyl (2E,4Z)-deca-2,4-dienoate?
The IUPAC name of methyl (2E,4Z)-deca-2,4-dienoate (CID 6436336) is methyl (2E,4Z)-deca-2,4-dienoate.
What is the SMILES notation for methyl (2E,4Z)-deca-2,4-dienoate?
The canonical SMILES for methyl (2E,4Z)-deca-2,4-dienoate is CCCCC/C=C\C=C\C(=O)OC.
What is the InChIKey of methyl (2E,4Z)-deca-2,4-dienoate?
The InChIKey is SFHSEXGIVSBRRK-UQGDGPGGSA-N. The full InChI is InChI=1S/C11H18O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h7-10H,3-6H2,1-2H3/b8-7-,10-9+.
What are the key properties of methyl (2E,4Z)-deca-2,4-dienoate?
methyl (2E,4Z)-deca-2,4-dienoate has a molecular weight of 182.26 g/mol, XLogP of 2.85, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E,4Z)-deca-2,4-dienoate is sourced from PubChem (CID 6436336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).