(3-bromo-2-cyclopropyl-2-methylpropyl)cyclohexane

C13H23Br — CID 83150787

IUPAC(3-bromo-2-cyclopropyl-2-methylpropyl)cyclohexane
SMILESCC(CBr)(CC1CCCCC1)C1CC1
InChIInChI=1S/C13H23Br/c1-13(10-14,12-7-8-12)9-11-5-3-2-4-6-11/h11-12H,2-10H2,1H3
InChIKeyMMZWKRVOHXIEOW-UHFFFAOYSA-N
MW259.23 g/mol
LogP4.77
Rot. Bonds4

About (3-bromo-2-cyclopropyl-2-methylpropyl)cyclohexane

(3-bromo-2-cyclopropyl-2-methylpropyl)cyclohexane (PubChem CID 83150787) has the molecular formula C13H23Br and a molecular weight of 259.23 g/mol. Its IUPAC name is (3-bromo-2-cyclopropyl-2-methylpropyl)cyclohexane.

Molecular Properties

Compound Name(3-bromo-2-cyclopropyl-2-methylpropyl)cyclohexane
PubChem CID83150787
Molecular FormulaC13H23Br
Molecular Weight259.23 g/mol
Exact Mass258.10
IUPAC Name(3-bromo-2-cyclopropyl-2-methylpropyl)cyclohexane
SMILESCC(CBr)(CC1CCCCC1)C1CC1
InChIInChI=1S/C13H23Br/c1-13(10-14,12-7-8-12)9-11-5-3-2-4-6-11/h11-12H,2-10H2,1H3
InChIKeyMMZWKRVOHXIEOW-UHFFFAOYSA-N
XLogP4.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.23
LogP ≤ 54.77
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

3-cyclohexyl-2-cyclopropyl-2-methylpropan-1-amine
CID 83149608
3-cyclohexyl-2-cyclopropyl-2-methyl-N-propan-2-ylpropan-1-amine
CID 83159871
1-cyclohexyl-2-methylpropan-2-ol;ethane
CID 91251798
[2-(bromomethyl)-2-methylbut-3-enyl]cyclopentane
CID 86036978
tert-butylcyclobutane;tert-butylcyclohexane;tert-butylcyclopentane;tert-butylcyclopropane;2,2-dimethylpropylcyclobutane;2,2-dimethylpropylcyclohexane;2,2-dimethylpropylcyclopentane;2,2-dimethylpropylcyclopropane
CID 161188745
1-cyclopentyl-2-methylpropan-2-ol
CID 18424051
3-methylpentan-3-ylcycloundecane
CID 123467319
(3-bromo-2,2-dimethylpropyl)sulfanylmethylcyclopentane
CID 65000271
(1-bromo-2-methylheptan-2-yl)cyclopropane
CID 83150476
cyclopentane;2,2-dimethylbutylcyclopentane;propane
CID 162289353
2-amino-1-cyclohexylpropan-2-ol
CID 57094409
(1-bromo-2-methylpropan-2-yl)cyclopropane
CID 83149923

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-cyclopropyl-2-methylpropyl)cyclohexane?
The IUPAC name of (3-bromo-2-cyclopropyl-2-methylpropyl)cyclohexane (CID 83150787) is (3-bromo-2-cyclopropyl-2-methylpropyl)cyclohexane.
What is the SMILES notation for (3-bromo-2-cyclopropyl-2-methylpropyl)cyclohexane?
The canonical SMILES for (3-bromo-2-cyclopropyl-2-methylpropyl)cyclohexane is CC(CBr)(CC1CCCCC1)C1CC1.
What is the InChIKey of (3-bromo-2-cyclopropyl-2-methylpropyl)cyclohexane?
The InChIKey is MMZWKRVOHXIEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23Br/c1-13(10-14,12-7-8-12)9-11-5-3-2-4-6-11/h11-12H,2-10H2,1H3.
What are the key properties of (3-bromo-2-cyclopropyl-2-methylpropyl)cyclohexane?
(3-bromo-2-cyclopropyl-2-methylpropyl)cyclohexane has a molecular weight of 259.23 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-cyclopropyl-2-methylpropyl)cyclohexane is sourced from PubChem (CID 83150787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).