1-(dibromomethyl)-3,3-dimethylcyclohexene

C9H14Br2 — CID 139627445

IUPAC1-(dibromomethyl)-3,3-dimethylcyclohexene
SMILESCC1(C)C=C(C(Br)Br)CCC1
InChIInChI=1S/C9H14Br2/c1-9(2)5-3-4-7(6-9)8(10)11/h6,8H,3-5H2,1-2H3
InChIKeyXIOYNUVSCQMYEV-UHFFFAOYSA-N
MW282.02 g/mol
LogP4.24
Rot. Bonds1

About 1-(dibromomethyl)-3,3-dimethylcyclohexene

1-(dibromomethyl)-3,3-dimethylcyclohexene (PubChem CID 139627445) has the molecular formula C9H14Br2 and a molecular weight of 282.02 g/mol. Its IUPAC name is 1-(dibromomethyl)-3,3-dimethylcyclohexene.

Molecular Properties

Compound Name1-(dibromomethyl)-3,3-dimethylcyclohexene
PubChem CID139627445
Molecular FormulaC9H14Br2
Molecular Weight282.02 g/mol
Exact Mass279.95
IUPAC Name1-(dibromomethyl)-3,3-dimethylcyclohexene
SMILESCC1(C)C=C(C(Br)Br)CCC1
InChIInChI=1S/C9H14Br2/c1-9(2)5-3-4-7(6-9)8(10)11/h6,8H,3-5H2,1-2H3
InChIKeyXIOYNUVSCQMYEV-UHFFFAOYSA-N
XLogP4.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.02
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4,4-Bis(bromomethyl)cyclohex-1-ene
CID 165746651
1-(Bromomethyl)-3,3-dimethylcyclohex-1-ene
CID 14298041
(E)-1,7-Tribromo-3,7-dimethyl-2-octene
CID 5467862
Cyclohexene, 6-(bromomethyl)-1,5,5-trimethyl-
CID 12180214
(6R)-6-(bromomethyl)-1,5,5-trimethylcyclohexene
CID 3085724
1-Bromo-3,7,7-trimethyloct-2-ene
CID 53868778
2-[(E)-5-bromo-3-methylpent-3-enyl]-1,3,3-trimethylcyclohexene
CID 10913092
2-[(E)-6-bromo-3-methylhex-3-enyl]-1,3,3-trimethylcyclohexene
CID 11109335
1,2-Bis(bromomethyl)-3,3,6,6-tetramethylcyclohex-1-ene
CID 13113741
1-Bromo-4-methyl-6-(2,6,6-trimethylcyclohex-1-enyl)-3-hexene
CID 53956524
3,4-Dibromo-1-butyl-3-methylcyclobutene
CID 10902049
Cyclohexene, 1-(bromomethyl)-4-(1-methylethenyl)-, (S)-
CID 11074774

Frequently Asked Questions

What is the IUPAC name of 1-(dibromomethyl)-3,3-dimethylcyclohexene?
The IUPAC name of 1-(dibromomethyl)-3,3-dimethylcyclohexene (CID 139627445) is 1-(dibromomethyl)-3,3-dimethylcyclohexene.
What is the SMILES notation for 1-(dibromomethyl)-3,3-dimethylcyclohexene?
The canonical SMILES for 1-(dibromomethyl)-3,3-dimethylcyclohexene is CC1(C)C=C(C(Br)Br)CCC1.
What is the InChIKey of 1-(dibromomethyl)-3,3-dimethylcyclohexene?
The InChIKey is XIOYNUVSCQMYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14Br2/c1-9(2)5-3-4-7(6-9)8(10)11/h6,8H,3-5H2,1-2H3.
What are the key properties of 1-(dibromomethyl)-3,3-dimethylcyclohexene?
1-(dibromomethyl)-3,3-dimethylcyclohexene has a molecular weight of 282.02 g/mol, XLogP of 4.24, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dibromomethyl)-3,3-dimethylcyclohexene is sourced from PubChem (CID 139627445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).