(6R)-2-bromo-6-methylcyclohexa-1,3-diene-1-carbaldehyde

C8H9BrO — CID 163656047

IUPAC(6R)-2-bromo-6-methylcyclohexa-1,3-diene-1-carbaldehyde
SMILESC[C@@H]1CC=CC(Br)=C1C=O
InChIInChI=1S/C8H9BrO/c1-6-3-2-4-8(9)7(6)5-10/h2,4-6H,3H2,1H3/t6-/m1/s1
InChIKeyIQHSUWDZVBJPJR-ZCFIWIBFSA-N
MW201.06 g/mol
LogP2.43
Rot. Bonds1

About (6R)-2-bromo-6-methylcyclohexa-1,3-diene-1-carbaldehyde

(6R)-2-bromo-6-methylcyclohexa-1,3-diene-1-carbaldehyde (PubChem CID 163656047) has the molecular formula C8H9BrO and a molecular weight of 201.06 g/mol. Its IUPAC name is (6R)-2-bromo-6-methylcyclohexa-1,3-diene-1-carbaldehyde.

Molecular Properties

Compound Name(6R)-2-bromo-6-methylcyclohexa-1,3-diene-1-carbaldehyde
PubChem CID163656047
Molecular FormulaC8H9BrO
Molecular Weight201.06 g/mol
Exact Mass199.98
IUPAC Name(6R)-2-bromo-6-methylcyclohexa-1,3-diene-1-carbaldehyde
SMILESC[C@@H]1CC=CC(Br)=C1C=O
InChIInChI=1S/C8H9BrO/c1-6-3-2-4-8(9)7(6)5-10/h2,4-6H,3H2,1H3/t6-/m1/s1
InChIKeyIQHSUWDZVBJPJR-ZCFIWIBFSA-N
XLogP2.43
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.06
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

acetylene;(5R)-5-methylcyclopent-2-en-1-one
CID 142013525
1,2-dimethoxy-6-methylcyclohexa-1,3-diene
CID 19612221
(1S,4S)-3-bromobicyclo[2.2.1]hept-2-ene-2-carbaldehyde
CID 125469365
3,7-dimethyl-6,7-dihydro-1-benzothiophene
CID 142881459
4-methyl-2,3,4,5-tetrahydro-1-benzofuran
CID 142210898
2-fluoro-6-methylcyclohexa-1,3-dien-1-ol
CID 154518719
(4R)-4-methylcyclohexa-1,5-diene-1-carbaldehyde
CID 89362390
2-amino-3-methyl-3,4-dihydroazocine-8-carbaldehyde
CID 123830192
4-bromo-8-methyl-7,8-dihydroisoquinoline-1-carboxylic acid
CID 129171886
4-bromo-5-methyl-1,2,5,6-tetrahydrocyclobuta[a]naphthalene
CID 155029243
2,6-dimethyl-1-methylsulfanylcyclohexa-1,3-diene
CID 91241824
(1S,7R)-8,8-dimethylbicyclo[5.1.0]octa-2,4-diene-3-carbaldehyde
CID 162404722

Frequently Asked Questions

What is the IUPAC name of (6R)-2-bromo-6-methylcyclohexa-1,3-diene-1-carbaldehyde?
The IUPAC name of (6R)-2-bromo-6-methylcyclohexa-1,3-diene-1-carbaldehyde (CID 163656047) is (6R)-2-bromo-6-methylcyclohexa-1,3-diene-1-carbaldehyde.
What is the SMILES notation for (6R)-2-bromo-6-methylcyclohexa-1,3-diene-1-carbaldehyde?
The canonical SMILES for (6R)-2-bromo-6-methylcyclohexa-1,3-diene-1-carbaldehyde is C[C@@H]1CC=CC(Br)=C1C=O.
What is the InChIKey of (6R)-2-bromo-6-methylcyclohexa-1,3-diene-1-carbaldehyde?
The InChIKey is IQHSUWDZVBJPJR-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H9BrO/c1-6-3-2-4-8(9)7(6)5-10/h2,4-6H,3H2,1H3/t6-/m1/s1.
What are the key properties of (6R)-2-bromo-6-methylcyclohexa-1,3-diene-1-carbaldehyde?
(6R)-2-bromo-6-methylcyclohexa-1,3-diene-1-carbaldehyde has a molecular weight of 201.06 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2-bromo-6-methylcyclohexa-1,3-diene-1-carbaldehyde is sourced from PubChem (CID 163656047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).