[(2E,4Z)-2-ethenylhexa-2,4-dienyl] formate

C9H12O2 — CID 89020772

IUPAC[(2E,4Z)-2-ethenylhexa-2,4-dienyl] formate
SMILESC=C/C(=C\C=C/C)COC=O
InChIInChI=1S/C9H12O2/c1-3-5-6-9(4-2)7-11-8-10/h3-6,8H,2,7H2,1H3/b5-3-,9-6+
InChIKeyZFZLNFKQDLEWSG-PAEKIZANSA-N
MW152.19 g/mol
LogP1.85
Rot. Bonds5

About [(2E,4Z)-2-ethenylhexa-2,4-dienyl] formate

[(2E,4Z)-2-ethenylhexa-2,4-dienyl] formate (PubChem CID 89020772) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is [(2E,4Z)-2-ethenylhexa-2,4-dienyl] formate.

Molecular Properties

Compound Name[(2E,4Z)-2-ethenylhexa-2,4-dienyl] formate
PubChem CID89020772
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name[(2E,4Z)-2-ethenylhexa-2,4-dienyl] formate
SMILESC=C/C(=C\C=C/C)COC=O
InChIInChI=1S/C9H12O2/c1-3-5-6-9(4-2)7-11-8-10/h3-6,8H,2,7H2,1H3/b5-3-,9-6+
InChIKeyZFZLNFKQDLEWSG-PAEKIZANSA-N
XLogP1.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(2E,4E)-2-ethenyl-5-methoxyhexa-2,4-dienyl] formate
CID 144761183
[(2Z,4Z)-2-methylhexa-2,4-dienyl] formate
CID 145290933
ethane;(2E,4Z)-2-ethenylhexa-2,4-dien-1-amine
CID 143793219
[(2E,4Z)-2-ethenylhexa-2,4-dienyl] thiohypochlorite
CID 153339188
(3Z,5Z)-3-ethenylhepta-3,5-dien-1-amine
CID 88579233
phosphanyl N-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]carbamate
CID 139323610
benzyl [(2E,4Z)-2-ethenylhexa-2,4-dienyl] hydrogen phosphate
CID 167158784
[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] formate
CID 143198553
2-aminoacetic acid;ethane;(2Z,4Z)-5-ethenylocta-2,4-diene;methanol
CID 144536023
(3Z,5E)-N,N'-diamino-3-ethenylhepta-3,5-dienimidamide
CID 89129521
(3E)-3-(2-methylprop-1-enoxymethyl)hexa-1,3,5-triene
CID 168899282
(3E,7Z,9Z)-7-ethenyl-5,5-dimethyl-4-[(Z)-prop-1-enyl]undeca-1,3,7,9-tetraene
CID 143216884

Frequently Asked Questions

What is the IUPAC name of [(2E,4Z)-2-ethenylhexa-2,4-dienyl] formate?
The IUPAC name of [(2E,4Z)-2-ethenylhexa-2,4-dienyl] formate (CID 89020772) is [(2E,4Z)-2-ethenylhexa-2,4-dienyl] formate.
What is the SMILES notation for [(2E,4Z)-2-ethenylhexa-2,4-dienyl] formate?
The canonical SMILES for [(2E,4Z)-2-ethenylhexa-2,4-dienyl] formate is C=C/C(=C\C=C/C)COC=O.
What is the InChIKey of [(2E,4Z)-2-ethenylhexa-2,4-dienyl] formate?
The InChIKey is ZFZLNFKQDLEWSG-PAEKIZANSA-N. The full InChI is InChI=1S/C9H12O2/c1-3-5-6-9(4-2)7-11-8-10/h3-6,8H,2,7H2,1H3/b5-3-,9-6+.
What are the key properties of [(2E,4Z)-2-ethenylhexa-2,4-dienyl] formate?
[(2E,4Z)-2-ethenylhexa-2,4-dienyl] formate has a molecular weight of 152.19 g/mol, XLogP of 1.85, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E,4Z)-2-ethenylhexa-2,4-dienyl] formate is sourced from PubChem (CID 89020772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).