(3-bromo-2-methylpropyl)cyclohexane

C10H19Br — CID 64670797

IUPAC(3-bromo-2-methylpropyl)cyclohexane
SMILESCC(CBr)CC1CCCCC1
InChIInChI=1S/C10H19Br/c1-9(8-11)7-10-5-3-2-4-6-10/h9-10H,2-8H2,1H3
InChIKeyNPHYFXGIKKEJRR-UHFFFAOYSA-N
MW219.17 g/mol
LogP3.99
Rot. Bonds3

About (3-bromo-2-methylpropyl)cyclohexane

(3-bromo-2-methylpropyl)cyclohexane (PubChem CID 64670797) has the molecular formula C10H19Br and a molecular weight of 219.17 g/mol. Its IUPAC name is (3-bromo-2-methylpropyl)cyclohexane.

Molecular Properties

Compound Name(3-bromo-2-methylpropyl)cyclohexane
PubChem CID64670797
Molecular FormulaC10H19Br
Molecular Weight219.17 g/mol
Exact Mass218.07
IUPAC Name(3-bromo-2-methylpropyl)cyclohexane
SMILESCC(CBr)CC1CCCCC1
InChIInChI=1S/C10H19Br/c1-9(8-11)7-10-5-3-2-4-6-10/h9-10H,2-8H2,1H3
InChIKeyNPHYFXGIKKEJRR-UHFFFAOYSA-N
XLogP3.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.17
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-(3-bromo-2-methylpropyl)-4-chlorocyclohexane
CID 123156119
1-(3-bromo-2-methylpropyl)-3-methylcyclohexane
CID 64670996
azane;2-methylbutylcyclohexane
CID 143986613
bis(2-methylpropylcyclohexane);2-methylpropylcyclopentane
CID 159474199
2,3-dibromopropylcyclohexane
CID 118255100
2-methylpropylcyclohexane;2-methylpropylcyclopentane;2-methylpropylcyclopropane
CID 159692112
cyclopentane;iron;2-methylpropylcyclopentane
CID 172726896
4-(3-bromo-2-methylpropyl)cyclopentene
CID 165445923
(3-methyl-2-propan-2-ylbutyl)cycloheptane
CID 123585668
2,3-dimethylbutylcyclodecane
CID 123220792
2-methylhex-5-enylcyclohexane
CID 142828676
3-cyclopentyl-N,2-dimethylpropan-1-amine
CID 62530877

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-methylpropyl)cyclohexane?
The IUPAC name of (3-bromo-2-methylpropyl)cyclohexane (CID 64670797) is (3-bromo-2-methylpropyl)cyclohexane.
What is the SMILES notation for (3-bromo-2-methylpropyl)cyclohexane?
The canonical SMILES for (3-bromo-2-methylpropyl)cyclohexane is CC(CBr)CC1CCCCC1.
What is the InChIKey of (3-bromo-2-methylpropyl)cyclohexane?
The InChIKey is NPHYFXGIKKEJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19Br/c1-9(8-11)7-10-5-3-2-4-6-10/h9-10H,2-8H2,1H3.
What are the key properties of (3-bromo-2-methylpropyl)cyclohexane?
(3-bromo-2-methylpropyl)cyclohexane has a molecular weight of 219.17 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-methylpropyl)cyclohexane is sourced from PubChem (CID 64670797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).