4,4-dibromobut-3-enoxycyclohexane

C10H16Br2O — CID 22279681

IUPAC4,4-dibromobut-3-enoxycyclohexane
SMILESBrC(Br)=CCCOC1CCCCC1
InChIInChI=1S/C10H16Br2O/c11-10(12)7-4-8-13-9-5-2-1-3-6-9/h7,9H,1-6,8H2
InChIKeyXSWXJNJGQJJYNL-UHFFFAOYSA-N
MW312.05 g/mol
LogP4.36
Rot. Bonds4

About 4,4-dibromobut-3-enoxycyclohexane

4,4-dibromobut-3-enoxycyclohexane (PubChem CID 22279681) has the molecular formula C10H16Br2O and a molecular weight of 312.05 g/mol. Its IUPAC name is 4,4-dibromobut-3-enoxycyclohexane.

Molecular Properties

Compound Name4,4-dibromobut-3-enoxycyclohexane
PubChem CID22279681
Molecular FormulaC10H16Br2O
Molecular Weight312.05 g/mol
Exact Mass309.96
IUPAC Name4,4-dibromobut-3-enoxycyclohexane
SMILESBrC(Br)=CCCOC1CCCCC1
InChIInChI=1S/C10H16Br2O/c11-10(12)7-4-8-13-9-5-2-1-3-6-9/h7,9H,1-6,8H2
InChIKeyXSWXJNJGQJJYNL-UHFFFAOYSA-N
XLogP4.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.05
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,4-dibromobut-3-enoxycyclohexane?
The IUPAC name of 4,4-dibromobut-3-enoxycyclohexane (CID 22279681) is 4,4-dibromobut-3-enoxycyclohexane.
What is the SMILES notation for 4,4-dibromobut-3-enoxycyclohexane?
The canonical SMILES for 4,4-dibromobut-3-enoxycyclohexane is BrC(Br)=CCCOC1CCCCC1.
What is the InChIKey of 4,4-dibromobut-3-enoxycyclohexane?
The InChIKey is XSWXJNJGQJJYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16Br2O/c11-10(12)7-4-8-13-9-5-2-1-3-6-9/h7,9H,1-6,8H2.
What are the key properties of 4,4-dibromobut-3-enoxycyclohexane?
4,4-dibromobut-3-enoxycyclohexane has a molecular weight of 312.05 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dibromobut-3-enoxycyclohexane is sourced from PubChem (CID 22279681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).