(2E,4E)-1-(4-bromopent-4-enoxy)hexa-2,4-diene

C11H17BrO — CID 13113516

IUPAC(2E,4E)-1-(4-bromopent-4-enoxy)hexa-2,4-diene
SMILESC=C(Br)CCCOC/C=C/C=C/C
InChIInChI=1S/C11H17BrO/c1-3-4-5-6-9-13-10-7-8-11(2)12/h3-6H,2,7-10H2,1H3/b4-3+,6-5+
InChIKeyGXWDLYWAIHOZSY-VNKDHWASSA-N
MW245.16 g/mol
LogP3.82
Rot. Bonds7

About (2E,4E)-1-(4-bromopent-4-enoxy)hexa-2,4-diene

(2E,4E)-1-(4-bromopent-4-enoxy)hexa-2,4-diene (PubChem CID 13113516) has the molecular formula C11H17BrO and a molecular weight of 245.16 g/mol. Its IUPAC name is (2E,4E)-1-(4-bromopent-4-enoxy)hexa-2,4-diene.

Molecular Properties

Compound Name(2E,4E)-1-(4-bromopent-4-enoxy)hexa-2,4-diene
PubChem CID13113516
Molecular FormulaC11H17BrO
Molecular Weight245.16 g/mol
Exact Mass244.05
IUPAC Name(2E,4E)-1-(4-bromopent-4-enoxy)hexa-2,4-diene
SMILESC=C(Br)CCCOC/C=C/C=C/C
InChIInChI=1S/C11H17BrO/c1-3-4-5-6-9-13-10-7-8-11(2)12/h3-6H,2,7-10H2,1H3/b4-3+,6-5+
InChIKeyGXWDLYWAIHOZSY-VNKDHWASSA-N
XLogP3.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.16
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-1-(4-bromopent-4-enoxy)hexa-2,4-diene?
The IUPAC name of (2E,4E)-1-(4-bromopent-4-enoxy)hexa-2,4-diene (CID 13113516) is (2E,4E)-1-(4-bromopent-4-enoxy)hexa-2,4-diene.
What is the SMILES notation for (2E,4E)-1-(4-bromopent-4-enoxy)hexa-2,4-diene?
The canonical SMILES for (2E,4E)-1-(4-bromopent-4-enoxy)hexa-2,4-diene is C=C(Br)CCCOC/C=C/C=C/C.
What is the InChIKey of (2E,4E)-1-(4-bromopent-4-enoxy)hexa-2,4-diene?
The InChIKey is GXWDLYWAIHOZSY-VNKDHWASSA-N. The full InChI is InChI=1S/C11H17BrO/c1-3-4-5-6-9-13-10-7-8-11(2)12/h3-6H,2,7-10H2,1H3/b4-3+,6-5+.
What are the key properties of (2E,4E)-1-(4-bromopent-4-enoxy)hexa-2,4-diene?
(2E,4E)-1-(4-bromopent-4-enoxy)hexa-2,4-diene has a molecular weight of 245.16 g/mol, XLogP of 3.82, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-1-(4-bromopent-4-enoxy)hexa-2,4-diene is sourced from PubChem (CID 13113516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).