[(2E,4Z)-2-ethylhexa-2,4-dienyl] 2-ethyl-4,4-dimethylpentanoate

C17H30O2 — CID 129281720

IUPAC[(2E,4Z)-2-ethylhexa-2,4-dienyl] 2-ethyl-4,4-dimethylpentanoate
SMILESC/C=C\C=C(/CC)COC(=O)C(CC)CC(C)(C)C
InChIInChI=1S/C17H30O2/c1-7-10-11-14(8-2)13-19-16(18)15(9-3)12-17(4,5)6/h7,10-11,15H,8-9,12-13H2,1-6H3/b10-7-,14-11+
InChIKeyFRPZUIFWVOQISV-BXHQFMRESA-N
MW266.42 g/mol
LogP4.90
Rot. Bonds7

About [(2E,4Z)-2-ethylhexa-2,4-dienyl] 2-ethyl-4,4-dimethylpentanoate

[(2E,4Z)-2-ethylhexa-2,4-dienyl] 2-ethyl-4,4-dimethylpentanoate (PubChem CID 129281720) has the molecular formula C17H30O2 and a molecular weight of 266.42 g/mol. Its IUPAC name is [(2E,4Z)-2-ethylhexa-2,4-dienyl] 2-ethyl-4,4-dimethylpentanoate.

Molecular Properties

Compound Name[(2E,4Z)-2-ethylhexa-2,4-dienyl] 2-ethyl-4,4-dimethylpentanoate
PubChem CID129281720
Molecular FormulaC17H30O2
Molecular Weight266.42 g/mol
Exact Mass266.22
IUPAC Name[(2E,4Z)-2-ethylhexa-2,4-dienyl] 2-ethyl-4,4-dimethylpentanoate
SMILESC/C=C\C=C(/CC)COC(=O)C(CC)CC(C)(C)C
InChIInChI=1S/C17H30O2/c1-7-10-11-14(8-2)13-19-16(18)15(9-3)12-17(4,5)6/h7,10-11,15H,8-9,12-13H2,1-6H3/b10-7-,14-11+
InChIKeyFRPZUIFWVOQISV-BXHQFMRESA-N
XLogP4.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.42
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2E,4Z)-2-ethylhexa-2,4-dienyl] 2-ethyl-4,4-dimethylpentanoate?
The IUPAC name of [(2E,4Z)-2-ethylhexa-2,4-dienyl] 2-ethyl-4,4-dimethylpentanoate (CID 129281720) is [(2E,4Z)-2-ethylhexa-2,4-dienyl] 2-ethyl-4,4-dimethylpentanoate.
What is the SMILES notation for [(2E,4Z)-2-ethylhexa-2,4-dienyl] 2-ethyl-4,4-dimethylpentanoate?
The canonical SMILES for [(2E,4Z)-2-ethylhexa-2,4-dienyl] 2-ethyl-4,4-dimethylpentanoate is C/C=C\C=C(/CC)COC(=O)C(CC)CC(C)(C)C.
What is the InChIKey of [(2E,4Z)-2-ethylhexa-2,4-dienyl] 2-ethyl-4,4-dimethylpentanoate?
The InChIKey is FRPZUIFWVOQISV-BXHQFMRESA-N. The full InChI is InChI=1S/C17H30O2/c1-7-10-11-14(8-2)13-19-16(18)15(9-3)12-17(4,5)6/h7,10-11,15H,8-9,12-13H2,1-6H3/b10-7-,14-11+.
What are the key properties of [(2E,4Z)-2-ethylhexa-2,4-dienyl] 2-ethyl-4,4-dimethylpentanoate?
[(2E,4Z)-2-ethylhexa-2,4-dienyl] 2-ethyl-4,4-dimethylpentanoate has a molecular weight of 266.42 g/mol, XLogP of 4.90, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E,4Z)-2-ethylhexa-2,4-dienyl] 2-ethyl-4,4-dimethylpentanoate is sourced from PubChem (CID 129281720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).