5-bromo-1,3-dimethyl-2-methylidenecyclohexane

C9H15Br — CID 90900208

IUPAC5-bromo-1,3-dimethyl-2-methylidenecyclohexane
SMILESC=C1C(C)CC(Br)CC1C
InChIInChI=1S/C9H15Br/c1-6-4-9(10)5-7(2)8(6)3/h6-7,9H,3-5H2,1-2H3
InChIKeyZMRSNVFQZYDPIW-UHFFFAOYSA-N
MW203.12 g/mol
LogP3.37
Rot. Bonds

About 5-bromo-1,3-dimethyl-2-methylidenecyclohexane

5-bromo-1,3-dimethyl-2-methylidenecyclohexane (PubChem CID 90900208) has the molecular formula C9H15Br and a molecular weight of 203.12 g/mol. Its IUPAC name is 5-bromo-1,3-dimethyl-2-methylidenecyclohexane.

Molecular Properties

Compound Name5-bromo-1,3-dimethyl-2-methylidenecyclohexane
PubChem CID90900208
Molecular FormulaC9H15Br
Molecular Weight203.12 g/mol
Exact Mass202.04
IUPAC Name5-bromo-1,3-dimethyl-2-methylidenecyclohexane
SMILESC=C1C(C)CC(Br)CC1C
InChIInChI=1S/C9H15Br/c1-6-4-9(10)5-7(2)8(6)3/h6-7,9H,3-5H2,1-2H3
InChIKeyZMRSNVFQZYDPIW-UHFFFAOYSA-N
XLogP3.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.12
LogP ≤ 53.37
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

1,3,5-trimethyl-2-methylidenecyclohexane
CID 58661247
1-bromo-3-methylcyclobutane
CID 14372773
3-methyl-2-methylidene-6-oxabicyclo[3.1.0]hexane
CID 23567814
(2R,4R,6S)-2,4,6-trimethyl-3-methylideneoxane
CID 130179044
(1R,3R,5S)-3-methyl-2-methylidene-5-phenylcyclopentan-1-ol
CID 131136395
(2R,6R)-4-bromo-2,6-dimethyloxane
CID 96839693
4,6-dimethyl-2-methylidenecyclohexane-1,3-dione
CID 70519866
3-methyl-8-methylidenebicyclo[3.2.1]octane
CID 90879881
3-methyl-4-methylidenecyclohexan-1-ol
CID 91313026
cis-(1R,4S)-2-methyl-6-methylidenecyclohexane-1,4-diol
CID 134964075
5-bromocyclohexane-1,2,3-triol
CID 130020622
1-methyl-2-methylidenecyclobutane
CID 20800914

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1,3-dimethyl-2-methylidenecyclohexane?
The IUPAC name of 5-bromo-1,3-dimethyl-2-methylidenecyclohexane (CID 90900208) is 5-bromo-1,3-dimethyl-2-methylidenecyclohexane.
What is the SMILES notation for 5-bromo-1,3-dimethyl-2-methylidenecyclohexane?
The canonical SMILES for 5-bromo-1,3-dimethyl-2-methylidenecyclohexane is C=C1C(C)CC(Br)CC1C.
What is the InChIKey of 5-bromo-1,3-dimethyl-2-methylidenecyclohexane?
The InChIKey is ZMRSNVFQZYDPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15Br/c1-6-4-9(10)5-7(2)8(6)3/h6-7,9H,3-5H2,1-2H3.
What are the key properties of 5-bromo-1,3-dimethyl-2-methylidenecyclohexane?
5-bromo-1,3-dimethyl-2-methylidenecyclohexane has a molecular weight of 203.12 g/mol, XLogP of 3.37, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1,3-dimethyl-2-methylidenecyclohexane is sourced from PubChem (CID 90900208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).