(6R)-6-(bromomethyl)-1,5,5-trimethylcyclohexene

C10H17Br — CID 3085724

IUPAC(6R)-6-(bromomethyl)-1,5,5-trimethylcyclohexene
SMILESCC1=CCCC(C)(C)[C@H]1CBr
InChIInChI=1S/C10H17Br/c1-8-5-4-6-10(2,3)9(8)7-11/h5,9H,4,6-7H2,1-3H3/t9-/m0/s1
InChIKeyVHCXFNJDEABDNX-VIFPVBQESA-N
MW217.15 g/mol
LogP3.76
Rot. Bonds1

About (6R)-6-(bromomethyl)-1,5,5-trimethylcyclohexene

(6R)-6-(bromomethyl)-1,5,5-trimethylcyclohexene (PubChem CID 3085724) has the molecular formula C10H17Br and a molecular weight of 217.15 g/mol. Its IUPAC name is (6R)-6-(bromomethyl)-1,5,5-trimethylcyclohexene.

Molecular Properties

Compound Name(6R)-6-(bromomethyl)-1,5,5-trimethylcyclohexene
PubChem CID3085724
Molecular FormulaC10H17Br
Molecular Weight217.15 g/mol
Exact Mass216.05
IUPAC Name(6R)-6-(bromomethyl)-1,5,5-trimethylcyclohexene
SMILESCC1=CCCC(C)(C)[C@H]1CBr
InChIInChI=1S/C10H17Br/c1-8-5-4-6-10(2,3)9(8)7-11/h5,9H,4,6-7H2,1-3H3/t9-/m0/s1
InChIKeyVHCXFNJDEABDNX-VIFPVBQESA-N
XLogP3.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.15
LogP ≤ 53.76
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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Frequently Asked Questions

What is the IUPAC name of (6R)-6-(bromomethyl)-1,5,5-trimethylcyclohexene?
The IUPAC name of (6R)-6-(bromomethyl)-1,5,5-trimethylcyclohexene (CID 3085724) is (6R)-6-(bromomethyl)-1,5,5-trimethylcyclohexene.
What is the SMILES notation for (6R)-6-(bromomethyl)-1,5,5-trimethylcyclohexene?
The canonical SMILES for (6R)-6-(bromomethyl)-1,5,5-trimethylcyclohexene is CC1=CCCC(C)(C)[C@H]1CBr.
What is the InChIKey of (6R)-6-(bromomethyl)-1,5,5-trimethylcyclohexene?
The InChIKey is VHCXFNJDEABDNX-VIFPVBQESA-N. The full InChI is InChI=1S/C10H17Br/c1-8-5-4-6-10(2,3)9(8)7-11/h5,9H,4,6-7H2,1-3H3/t9-/m0/s1.
What are the key properties of (6R)-6-(bromomethyl)-1,5,5-trimethylcyclohexene?
(6R)-6-(bromomethyl)-1,5,5-trimethylcyclohexene has a molecular weight of 217.15 g/mol, XLogP of 3.76, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-(bromomethyl)-1,5,5-trimethylcyclohexene is sourced from PubChem (CID 3085724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).