methyl (2E,4Z,6Z)-deca-2,4,6-trienoate

C11H16O2 — CID 11745232

IUPACmethyl (2E,4Z,6Z)-deca-2,4,6-trienoate
SMILESCCC/C=C\C=C/C=C/C(=O)OC
InChIInChI=1S/C11H16O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h5-10H,3-4H2,1-2H3/b6-5-,8-7-,10-9+
InChIKeyDLNQRJFVXCCDKL-YXABPGESSA-N
MW180.25 g/mol
LogP2.63
Rot. Bonds5

About methyl (2E,4Z,6Z)-deca-2,4,6-trienoate

methyl (2E,4Z,6Z)-deca-2,4,6-trienoate (PubChem CID 11745232) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is methyl (2E,4Z,6Z)-deca-2,4,6-trienoate.

Molecular Properties

Compound Namemethyl (2E,4Z,6Z)-deca-2,4,6-trienoate
PubChem CID11745232
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Namemethyl (2E,4Z,6Z)-deca-2,4,6-trienoate
SMILESCCC/C=C\C=C/C=C/C(=O)OC
InChIInChI=1S/C11H16O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h5-10H,3-4H2,1-2H3/b6-5-,8-7-,10-9+
InChIKeyDLNQRJFVXCCDKL-YXABPGESSA-N
XLogP2.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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,6Z)-deca-2,4,6-trienoate?
The IUPAC name of methyl (2E,4Z,6Z)-deca-2,4,6-trienoate (CID 11745232) is methyl (2E,4Z,6Z)-deca-2,4,6-trienoate.
What is the SMILES notation for methyl (2E,4Z,6Z)-deca-2,4,6-trienoate?
The canonical SMILES for methyl (2E,4Z,6Z)-deca-2,4,6-trienoate is CCC/C=C\C=C/C=C/C(=O)OC.
What is the InChIKey of methyl (2E,4Z,6Z)-deca-2,4,6-trienoate?
The InChIKey is DLNQRJFVXCCDKL-YXABPGESSA-N. The full InChI is InChI=1S/C11H16O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h5-10H,3-4H2,1-2H3/b6-5-,8-7-,10-9+.
What are the key properties of methyl (2E,4Z,6Z)-deca-2,4,6-trienoate?
methyl (2E,4Z,6Z)-deca-2,4,6-trienoate has a molecular weight of 180.25 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E,4Z,6Z)-deca-2,4,6-trienoate is sourced from PubChem (CID 11745232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).