(2Z,4E)-4-bromo-1-methoxynona-2,4-diene

C10H17BrO — CID 156569348

IUPAC(2Z,4E)-4-bromo-1-methoxynona-2,4-diene
SMILESCCCC/C=C(Br)\C=C/COC
InChIInChI=1S/C10H17BrO/c1-3-4-5-7-10(11)8-6-9-12-2/h6-8H,3-5,9H2,1-2H3/b8-6-,10-7+
InChIKeyCKAFJHDWFIOXIG-GOOBONSCSA-N
MW233.15 g/mol
LogP3.66
Rot. Bonds6

About (2Z,4E)-4-bromo-1-methoxynona-2,4-diene

(2Z,4E)-4-bromo-1-methoxynona-2,4-diene (PubChem CID 156569348) has the molecular formula C10H17BrO and a molecular weight of 233.15 g/mol. Its IUPAC name is (2Z,4E)-4-bromo-1-methoxynona-2,4-diene.

Molecular Properties

Compound Name(2Z,4E)-4-bromo-1-methoxynona-2,4-diene
PubChem CID156569348
Molecular FormulaC10H17BrO
Molecular Weight233.15 g/mol
Exact Mass232.05
IUPAC Name(2Z,4E)-4-bromo-1-methoxynona-2,4-diene
SMILESCCCC/C=C(Br)\C=C/COC
InChIInChI=1S/C10H17BrO/c1-3-4-5-7-10(11)8-6-9-12-2/h6-8H,3-5,9H2,1-2H3/b8-6-,10-7+
InChIKeyCKAFJHDWFIOXIG-GOOBONSCSA-N
XLogP3.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.15
LogP ≤ 53.66
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

1,6-Octadiene, 8-methoxy-
CID 5362853
1-Methoxy-2,7-octadiene
CID 535026
(2Z,4E)-4-bromo-1-ethoxyhepta-2,4-diene
CID 144087388
(2E,4Z)-3-bromo-1-ethoxyhepta-2,4-diene
CID 144087393
(6Z)-8-methoxyocta-1,6-diene
CID 59041415
(2E,4E,6E)-1-methoxynona-2,4,6-triene
CID 90463863
(E)-1-methoxyhept-2-ene
CID 12563936
1-Methoxyhept-2-ene
CID 12632856
(2E,4E)-1-(4-bromopent-4-enoxy)hexa-2,4-diene
CID 13113516
2-bromo-6-[(2E,4E)-hexa-2,4-dienoxy]hex-1-ene
CID 13113517
1-(4-Bromopent-4-enoxy)hexa-2,4-diene
CID 73166003
2-Bromo-6-hexa-2,4-dienoxyhex-1-ene
CID 73166004

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-4-bromo-1-methoxynona-2,4-diene?
The IUPAC name of (2Z,4E)-4-bromo-1-methoxynona-2,4-diene (CID 156569348) is (2Z,4E)-4-bromo-1-methoxynona-2,4-diene.
What is the SMILES notation for (2Z,4E)-4-bromo-1-methoxynona-2,4-diene?
The canonical SMILES for (2Z,4E)-4-bromo-1-methoxynona-2,4-diene is CCCC/C=C(Br)\C=C/COC.
What is the InChIKey of (2Z,4E)-4-bromo-1-methoxynona-2,4-diene?
The InChIKey is CKAFJHDWFIOXIG-GOOBONSCSA-N. The full InChI is InChI=1S/C10H17BrO/c1-3-4-5-7-10(11)8-6-9-12-2/h6-8H,3-5,9H2,1-2H3/b8-6-,10-7+.
What are the key properties of (2Z,4E)-4-bromo-1-methoxynona-2,4-diene?
(2Z,4E)-4-bromo-1-methoxynona-2,4-diene has a molecular weight of 233.15 g/mol, XLogP of 3.66, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-4-bromo-1-methoxynona-2,4-diene is sourced from PubChem (CID 156569348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).