ethyl (2E,4E,6E)-3,7,11-trimethyldodeca-2,4,6,10-tetraenoate

C17H26O2 — CID 6370567

IUPACethyl (2E,4E,6E)-3,7,11-trimethyldodeca-2,4,6,10-tetraenoate
SMILESCCOC(=O)/C=C(C)/C=C/C=C(\C)CCC=C(C)C
InChIInChI=1S/C17H26O2/c1-6-19-17(18)13-16(5)12-8-11-15(4)10-7-9-14(2)3/h8-9,11-13H,6-7,10H2,1-5H3/b12-8+,15-11+,16-13+
InChIKeyIXLSHKVMEQBNOO-LLKPRGDRSA-N
MW262.39 g/mol
LogP4.74
Rot. Bonds7

About ethyl (2E,4E,6E)-3,7,11-trimethyldodeca-2,4,6,10-tetraenoate

ethyl (2E,4E,6E)-3,7,11-trimethyldodeca-2,4,6,10-tetraenoate (PubChem CID 6370567) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is ethyl (2E,4E,6E)-3,7,11-trimethyldodeca-2,4,6,10-tetraenoate.

Molecular Properties

Compound Nameethyl (2E,4E,6E)-3,7,11-trimethyldodeca-2,4,6,10-tetraenoate
PubChem CID6370567
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Nameethyl (2E,4E,6E)-3,7,11-trimethyldodeca-2,4,6,10-tetraenoate
SMILESCCOC(=O)/C=C(C)/C=C/C=C(\C)CCC=C(C)C
InChIInChI=1S/C17H26O2/c1-6-19-17(18)13-16(5)12-8-11-15(4)10-7-9-14(2)3/h8-9,11-13H,6-7,10H2,1-5H3/b12-8+,15-11+,16-13+
InChIKeyIXLSHKVMEQBNOO-LLKPRGDRSA-N
XLogP4.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.74
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze ethyl (2E,4E,6E)-3,7,11-trimethyldodeca-2,4,6,10-tetraenoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl (2E,4E,6E)-3,7,11-trimethyldodeca-2,4,6,10-tetraenoate?
The IUPAC name of ethyl (2E,4E,6E)-3,7,11-trimethyldodeca-2,4,6,10-tetraenoate (CID 6370567) is ethyl (2E,4E,6E)-3,7,11-trimethyldodeca-2,4,6,10-tetraenoate.
What is the SMILES notation for ethyl (2E,4E,6E)-3,7,11-trimethyldodeca-2,4,6,10-tetraenoate?
The canonical SMILES for ethyl (2E,4E,6E)-3,7,11-trimethyldodeca-2,4,6,10-tetraenoate is CCOC(=O)/C=C(C)/C=C/C=C(\C)CCC=C(C)C.
What is the InChIKey of ethyl (2E,4E,6E)-3,7,11-trimethyldodeca-2,4,6,10-tetraenoate?
The InChIKey is IXLSHKVMEQBNOO-LLKPRGDRSA-N. The full InChI is InChI=1S/C17H26O2/c1-6-19-17(18)13-16(5)12-8-11-15(4)10-7-9-14(2)3/h8-9,11-13H,6-7,10H2,1-5H3/b12-8+,15-11+,16-13+.
What are the key properties of ethyl (2E,4E,6E)-3,7,11-trimethyldodeca-2,4,6,10-tetraenoate?
ethyl (2E,4E,6E)-3,7,11-trimethyldodeca-2,4,6,10-tetraenoate has a molecular weight of 262.39 g/mol, XLogP of 4.74, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E,4E,6E)-3,7,11-trimethyldodeca-2,4,6,10-tetraenoate is sourced from PubChem (CID 6370567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).