2-bromo-6-[(2E,4E)-hexa-2,4-dienoxy]hex-1-ene

C12H19BrO — CID 13113517

IUPAC2-bromo-6-[(2E,4E)-hexa-2,4-dienoxy]hex-1-ene
SMILESC=C(Br)CCCCOC/C=C/C=C/C
InChIInChI=1S/C12H19BrO/c1-3-4-5-7-10-14-11-8-6-9-12(2)13/h3-5,7H,2,6,8-11H2,1H3/b4-3+,7-5+
InChIKeyRAJRFCZYWJVYTL-BDWKERMESA-N
MW259.19 g/mol
LogP4.21
Rot. Bonds8

About 2-bromo-6-[(2E,4E)-hexa-2,4-dienoxy]hex-1-ene

2-bromo-6-[(2E,4E)-hexa-2,4-dienoxy]hex-1-ene (PubChem CID 13113517) has the molecular formula C12H19BrO and a molecular weight of 259.19 g/mol. Its IUPAC name is 2-bromo-6-[(2E,4E)-hexa-2,4-dienoxy]hex-1-ene.

Molecular Properties

Compound Name2-bromo-6-[(2E,4E)-hexa-2,4-dienoxy]hex-1-ene
PubChem CID13113517
Molecular FormulaC12H19BrO
Molecular Weight259.19 g/mol
Exact Mass258.06
IUPAC Name2-bromo-6-[(2E,4E)-hexa-2,4-dienoxy]hex-1-ene
SMILESC=C(Br)CCCCOC/C=C/C=C/C
InChIInChI=1S/C12H19BrO/c1-3-4-5-7-10-14-11-8-6-9-12(2)13/h3-5,7H,2,6,8-11H2,1H3/b4-3+,7-5+
InChIKeyRAJRFCZYWJVYTL-BDWKERMESA-N
XLogP4.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.19
LogP ≤ 54.21
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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Related Compounds

(2E,4E)-1-(4-bromopent-4-enoxy)hexa-2,4-diene
CID 13113516
1-(4-Bromopent-4-enoxy)hexa-2,4-diene
CID 73166003
2-Bromo-6-hexa-2,4-dienoxyhex-1-ene
CID 73166004
(2E,4E)-1-(5-bromopentoxy)hexa-2,4-diene
CID 155681789
(2Z,4E)-4-bromo-1-methoxynona-2,4-diene
CID 156569348
1-Bromo-3-pentoxycyclohexa-1,3-diene
CID 173290723
6-[(E)-2,3-dibromo-4-prop-2-enoxybut-2-enoxy]hex-1-ene
CID 122367443

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[(2E,4E)-hexa-2,4-dienoxy]hex-1-ene?
The IUPAC name of 2-bromo-6-[(2E,4E)-hexa-2,4-dienoxy]hex-1-ene (CID 13113517) is 2-bromo-6-[(2E,4E)-hexa-2,4-dienoxy]hex-1-ene.
What is the SMILES notation for 2-bromo-6-[(2E,4E)-hexa-2,4-dienoxy]hex-1-ene?
The canonical SMILES for 2-bromo-6-[(2E,4E)-hexa-2,4-dienoxy]hex-1-ene is C=C(Br)CCCCOC/C=C/C=C/C.
What is the InChIKey of 2-bromo-6-[(2E,4E)-hexa-2,4-dienoxy]hex-1-ene?
The InChIKey is RAJRFCZYWJVYTL-BDWKERMESA-N. The full InChI is InChI=1S/C12H19BrO/c1-3-4-5-7-10-14-11-8-6-9-12(2)13/h3-5,7H,2,6,8-11H2,1H3/b4-3+,7-5+.
What are the key properties of 2-bromo-6-[(2E,4E)-hexa-2,4-dienoxy]hex-1-ene?
2-bromo-6-[(2E,4E)-hexa-2,4-dienoxy]hex-1-ene has a molecular weight of 259.19 g/mol, XLogP of 4.21, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[(2E,4E)-hexa-2,4-dienoxy]hex-1-ene is sourced from PubChem (CID 13113517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).