(2E,4E)-1-[(E)-prop-1-enoxy]hexa-2,4-diene

C9H14O — CID 100935806

IUPAC(2E,4E)-1-[(E)-prop-1-enoxy]hexa-2,4-diene
SMILESC/C=C/C=C/CO/C=C/C
InChIInChI=1S/C9H14O/c1-3-5-6-7-9-10-8-4-2/h3-8H,9H2,1-2H3/b5-3+,7-6+,8-4+
InChIKeyHASYNEGOKRPWOJ-CCPOWDLISA-N
MW138.21 g/mol
LogP2.67
Rot. Bonds4

About (2E,4E)-1-[(E)-prop-1-enoxy]hexa-2,4-diene

(2E,4E)-1-[(E)-prop-1-enoxy]hexa-2,4-diene (PubChem CID 100935806) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is (2E,4E)-1-[(E)-prop-1-enoxy]hexa-2,4-diene.

Molecular Properties

Compound Name(2E,4E)-1-[(E)-prop-1-enoxy]hexa-2,4-diene
PubChem CID100935806
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name(2E,4E)-1-[(E)-prop-1-enoxy]hexa-2,4-diene
SMILESC/C=C/C=C/CO/C=C/C
InChIInChI=1S/C9H14O/c1-3-5-6-7-9-10-8-4-2/h3-8H,9H2,1-2H3/b5-3+,7-6+,8-4+
InChIKeyHASYNEGOKRPWOJ-CCPOWDLISA-N
XLogP2.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1-prop-1-enoxybut-2-ene
CID 21944
[(2Z,4Z)-hexa-2,4-dienyl] sulfamate
CID 134484581
(2E,4Z,6Z)-1-(2-methoxyethoxy)octa-2,4,6-triene
CID 88966150
(1E,3E,5E,7E)-1-methoxynona-1,3,5,7-tetraene
CID 6440136
hexa-2,4-dienyl hexa-2,4-dienoate
CID 90852778
ethenyl-[(2E,4E)-hexa-2,4-dienoxy]-dimethylsilane
CID 10910196
hexa-2,4-dienyl (E)-but-2-enoate
CID 139967113
(4E)-hexa-2,4-diene
CID 22435466
(2E,4E)-1-pent-2-ynoxyhexa-2,4-diene
CID 10583159
1-[(2E,4E)-hexa-2,4-dienoxy]octane
CID 122683183
2-hexa-2,4-dienoxypropanenitrile
CID 20981678
(3E)-1-(methoxymethoxy)penta-1,3-diene
CID 134890511

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-1-[(E)-prop-1-enoxy]hexa-2,4-diene?
The IUPAC name of (2E,4E)-1-[(E)-prop-1-enoxy]hexa-2,4-diene (CID 100935806) is (2E,4E)-1-[(E)-prop-1-enoxy]hexa-2,4-diene.
What is the SMILES notation for (2E,4E)-1-[(E)-prop-1-enoxy]hexa-2,4-diene?
The canonical SMILES for (2E,4E)-1-[(E)-prop-1-enoxy]hexa-2,4-diene is C/C=C/C=C/CO/C=C/C.
What is the InChIKey of (2E,4E)-1-[(E)-prop-1-enoxy]hexa-2,4-diene?
The InChIKey is HASYNEGOKRPWOJ-CCPOWDLISA-N. The full InChI is InChI=1S/C9H14O/c1-3-5-6-7-9-10-8-4-2/h3-8H,9H2,1-2H3/b5-3+,7-6+,8-4+.
What are the key properties of (2E,4E)-1-[(E)-prop-1-enoxy]hexa-2,4-diene?
(2E,4E)-1-[(E)-prop-1-enoxy]hexa-2,4-diene has a molecular weight of 138.21 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-1-[(E)-prop-1-enoxy]hexa-2,4-diene is sourced from PubChem (CID 100935806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).