4,4-dibromobut-3-en-2-ylcyclohexane

C10H16Br2 — CID 10494125

IUPAC4,4-dibromobut-3-en-2-ylcyclohexane
SMILESCC(C=C(Br)Br)C1CCCCC1
InChIInChI=1S/C10H16Br2/c1-8(7-10(11)12)9-5-3-2-4-6-9/h7-9H,2-6H2,1H3
InChIKeyYSMDNCCNJPVYRI-UHFFFAOYSA-N
MW296.05 g/mol
LogP4.83
Rot. Bonds2

About 4,4-dibromobut-3-en-2-ylcyclohexane

4,4-dibromobut-3-en-2-ylcyclohexane (PubChem CID 10494125) has the molecular formula C10H16Br2 and a molecular weight of 296.05 g/mol. Its IUPAC name is 4,4-dibromobut-3-en-2-ylcyclohexane.

Molecular Properties

Compound Name4,4-dibromobut-3-en-2-ylcyclohexane
PubChem CID10494125
Molecular FormulaC10H16Br2
Molecular Weight296.05 g/mol
Exact Mass293.96
IUPAC Name4,4-dibromobut-3-en-2-ylcyclohexane
SMILESCC(C=C(Br)Br)C1CCCCC1
InChIInChI=1S/C10H16Br2/c1-8(7-10(11)12)9-5-3-2-4-6-9/h7-9H,2-6H2,1H3
InChIKeyYSMDNCCNJPVYRI-UHFFFAOYSA-N
XLogP4.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.05
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4,4-dibromobut-3-en-2-ylcyclohexane?
The IUPAC name of 4,4-dibromobut-3-en-2-ylcyclohexane (CID 10494125) is 4,4-dibromobut-3-en-2-ylcyclohexane.
What is the SMILES notation for 4,4-dibromobut-3-en-2-ylcyclohexane?
The canonical SMILES for 4,4-dibromobut-3-en-2-ylcyclohexane is CC(C=C(Br)Br)C1CCCCC1.
What is the InChIKey of 4,4-dibromobut-3-en-2-ylcyclohexane?
The InChIKey is YSMDNCCNJPVYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16Br2/c1-8(7-10(11)12)9-5-3-2-4-6-9/h7-9H,2-6H2,1H3.
What are the key properties of 4,4-dibromobut-3-en-2-ylcyclohexane?
4,4-dibromobut-3-en-2-ylcyclohexane has a molecular weight of 296.05 g/mol, XLogP of 4.83, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dibromobut-3-en-2-ylcyclohexane is sourced from PubChem (CID 10494125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).