(2E,4Z)-6-bromo-2-(2-methoxyethoxy)hepta-2,4-diene

C10H17BrO2 — CID 135265792

IUPAC(2E,4Z)-6-bromo-2-(2-methoxyethoxy)hepta-2,4-diene
SMILESCOCCO/C(C)=C/C=C\C(C)Br
InChIInChI=1S/C10H17BrO2/c1-9(11)5-4-6-10(2)13-8-7-12-3/h4-6,9H,7-8H2,1-3H3/b5-4-,10-6+
InChIKeyYSMSRVSSRVEHLH-VWJYOPCBSA-N
MW249.15 g/mol
LogP2.89
Rot. Bonds6

About (2E,4Z)-6-bromo-2-(2-methoxyethoxy)hepta-2,4-diene

(2E,4Z)-6-bromo-2-(2-methoxyethoxy)hepta-2,4-diene (PubChem CID 135265792) has the molecular formula C10H17BrO2 and a molecular weight of 249.15 g/mol. Its IUPAC name is (2E,4Z)-6-bromo-2-(2-methoxyethoxy)hepta-2,4-diene.

Molecular Properties

Compound Name(2E,4Z)-6-bromo-2-(2-methoxyethoxy)hepta-2,4-diene
PubChem CID135265792
Molecular FormulaC10H17BrO2
Molecular Weight249.15 g/mol
Exact Mass248.04
IUPAC Name(2E,4Z)-6-bromo-2-(2-methoxyethoxy)hepta-2,4-diene
SMILESCOCCO/C(C)=C/C=C\C(C)Br
InChIInChI=1S/C10H17BrO2/c1-9(11)5-4-6-10(2)13-8-7-12-3/h4-6,9H,7-8H2,1-3H3/b5-4-,10-6+
InChIKeyYSMSRVSSRVEHLH-VWJYOPCBSA-N
XLogP2.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.15
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-6-bromo-2-(2-methoxyethoxy)hepta-2,4-diene?
The IUPAC name of (2E,4Z)-6-bromo-2-(2-methoxyethoxy)hepta-2,4-diene (CID 135265792) is (2E,4Z)-6-bromo-2-(2-methoxyethoxy)hepta-2,4-diene.
What is the SMILES notation for (2E,4Z)-6-bromo-2-(2-methoxyethoxy)hepta-2,4-diene?
The canonical SMILES for (2E,4Z)-6-bromo-2-(2-methoxyethoxy)hepta-2,4-diene is COCCO/C(C)=C/C=C\C(C)Br.
What is the InChIKey of (2E,4Z)-6-bromo-2-(2-methoxyethoxy)hepta-2,4-diene?
The InChIKey is YSMSRVSSRVEHLH-VWJYOPCBSA-N. The full InChI is InChI=1S/C10H17BrO2/c1-9(11)5-4-6-10(2)13-8-7-12-3/h4-6,9H,7-8H2,1-3H3/b5-4-,10-6+.
What are the key properties of (2E,4Z)-6-bromo-2-(2-methoxyethoxy)hepta-2,4-diene?
(2E,4Z)-6-bromo-2-(2-methoxyethoxy)hepta-2,4-diene has a molecular weight of 249.15 g/mol, XLogP of 2.89, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-6-bromo-2-(2-methoxyethoxy)hepta-2,4-diene is sourced from PubChem (CID 135265792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).