2-[(E)-8-bromooct-7-enyl]oxirane

C10H17BrO — CID 135044790

IUPAC2-[(E)-8-bromooct-7-enyl]oxirane
SMILESBr/C=C/CCCCCCC1CO1
InChIInChI=1S/C10H17BrO/c11-8-6-4-2-1-3-5-7-10-9-12-10/h6,8,10H,1-5,7,9H2/b8-6+
InChIKeyNDHCPOZQPMXXHB-SOFGYWHQSA-N
MW233.15 g/mol
LogP3.63
Rot. Bonds7

About 2-[(E)-8-bromooct-7-enyl]oxirane

2-[(E)-8-bromooct-7-enyl]oxirane (PubChem CID 135044790) has the molecular formula C10H17BrO and a molecular weight of 233.15 g/mol. Its IUPAC name is 2-[(E)-8-bromooct-7-enyl]oxirane.

Molecular Properties

Compound Name2-[(E)-8-bromooct-7-enyl]oxirane
PubChem CID135044790
Molecular FormulaC10H17BrO
Molecular Weight233.15 g/mol
Exact Mass232.05
IUPAC Name2-[(E)-8-bromooct-7-enyl]oxirane
SMILESBr/C=C/CCCCCCC1CO1
InChIInChI=1S/C10H17BrO/c11-8-6-4-2-1-3-5-7-10-9-12-10/h6,8,10H,1-5,7,9H2/b8-6+
InChIKeyNDHCPOZQPMXXHB-SOFGYWHQSA-N
XLogP3.63
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.15
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-8-bromooct-7-enyl]oxirane?
The IUPAC name of 2-[(E)-8-bromooct-7-enyl]oxirane (CID 135044790) is 2-[(E)-8-bromooct-7-enyl]oxirane.
What is the SMILES notation for 2-[(E)-8-bromooct-7-enyl]oxirane?
The canonical SMILES for 2-[(E)-8-bromooct-7-enyl]oxirane is Br/C=C/CCCCCCC1CO1.
What is the InChIKey of 2-[(E)-8-bromooct-7-enyl]oxirane?
The InChIKey is NDHCPOZQPMXXHB-SOFGYWHQSA-N. The full InChI is InChI=1S/C10H17BrO/c11-8-6-4-2-1-3-5-7-10-9-12-10/h6,8,10H,1-5,7,9H2/b8-6+.
What are the key properties of 2-[(E)-8-bromooct-7-enyl]oxirane?
2-[(E)-8-bromooct-7-enyl]oxirane has a molecular weight of 233.15 g/mol, XLogP of 3.63, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-8-bromooct-7-enyl]oxirane is sourced from PubChem (CID 135044790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).