1-[1-(bromomethyl)cyclopropyl]-2-methylcyclohexane

C11H19Br — CID 165443124

IUPAC1-[1-(bromomethyl)cyclopropyl]-2-methylcyclohexane
SMILESCC1CCCCC1C1(CBr)CC1
InChIInChI=1S/C11H19Br/c1-9-4-2-3-5-10(9)11(8-12)6-7-11/h9-10H,2-8H2,1H3
InChIKeyVBFRVZIUZQTHAN-UHFFFAOYSA-N
MW231.18 g/mol
LogP3.99
Rot. Bonds2

About 1-[1-(bromomethyl)cyclopropyl]-2-methylcyclohexane

1-[1-(bromomethyl)cyclopropyl]-2-methylcyclohexane (PubChem CID 165443124) has the molecular formula C11H19Br and a molecular weight of 231.18 g/mol. Its IUPAC name is 1-[1-(bromomethyl)cyclopropyl]-2-methylcyclohexane.

Molecular Properties

Compound Name1-[1-(bromomethyl)cyclopropyl]-2-methylcyclohexane
PubChem CID165443124
Molecular FormulaC11H19Br
Molecular Weight231.18 g/mol
Exact Mass230.07
IUPAC Name1-[1-(bromomethyl)cyclopropyl]-2-methylcyclohexane
SMILESCC1CCCCC1C1(CBr)CC1
InChIInChI=1S/C11H19Br/c1-9-4-2-3-5-10(9)11(8-12)6-7-11/h9-10H,2-8H2,1H3
InChIKeyVBFRVZIUZQTHAN-UHFFFAOYSA-N
XLogP3.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.18
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(1-ethylcyclopentyl)-2-methylcyclohexane
CID 173420432
(1-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-yl)methanol
CID 68744336
trans-(1R,2R)-1-(1-methoxycyclopropyl)-2-methylcyclohexane
CID 12564478
1-[1-(bromomethyl)cyclobutyl]-2-methoxycyclopentane
CID 130587220
1,2-dimethylcyclohexane;ethane;propane
CID 142115318
cis-(1S,2S)-1-(bromomethyl)-2-methylcyclohexane
CID 124509523
1-[[1-(bromomethyl)cyclopentyl]methoxy]-2-methylcyclohexane
CID 65001081
1,2-dimethylcycloicosane
CID 123296856
ethane;trans-(1R,2R)-1,2-dimethylcyclopentane
CID 91129712
1,2-dimethylcyclononadecane
CID 123549851
1,2-dimethylcyclohexane;vanadium
CID 142004480
2-methyl-2-(2-methylcyclopentyl)azetidine
CID 163881619

Frequently Asked Questions

What is the IUPAC name of 1-[1-(bromomethyl)cyclopropyl]-2-methylcyclohexane?
The IUPAC name of 1-[1-(bromomethyl)cyclopropyl]-2-methylcyclohexane (CID 165443124) is 1-[1-(bromomethyl)cyclopropyl]-2-methylcyclohexane.
What is the SMILES notation for 1-[1-(bromomethyl)cyclopropyl]-2-methylcyclohexane?
The canonical SMILES for 1-[1-(bromomethyl)cyclopropyl]-2-methylcyclohexane is CC1CCCCC1C1(CBr)CC1.
What is the InChIKey of 1-[1-(bromomethyl)cyclopropyl]-2-methylcyclohexane?
The InChIKey is VBFRVZIUZQTHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19Br/c1-9-4-2-3-5-10(9)11(8-12)6-7-11/h9-10H,2-8H2,1H3.
What are the key properties of 1-[1-(bromomethyl)cyclopropyl]-2-methylcyclohexane?
1-[1-(bromomethyl)cyclopropyl]-2-methylcyclohexane has a molecular weight of 231.18 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(bromomethyl)cyclopropyl]-2-methylcyclohexane is sourced from PubChem (CID 165443124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).