1-bromo-1-methyl-4-propan-2-ylcyclohexane

C10H19Br — CID 90475813

IUPAC1-bromo-1-methyl-4-propan-2-ylcyclohexane
SMILESCC(C)C1CCC(C)(Br)CC1
InChIInChI=1S/C10H19Br/c1-8(2)9-4-6-10(3,11)7-5-9/h8-9H,4-7H2,1-3H3
InChIKeyFTXVICPEAXEBQN-UHFFFAOYSA-N
MW219.17 g/mol
LogP3.99
Rot. Bonds1

About 1-bromo-1-methyl-4-propan-2-ylcyclohexane

1-bromo-1-methyl-4-propan-2-ylcyclohexane (PubChem CID 90475813) has the molecular formula C10H19Br and a molecular weight of 219.17 g/mol. Its IUPAC name is 1-bromo-1-methyl-4-propan-2-ylcyclohexane.

Molecular Properties

Compound Name1-bromo-1-methyl-4-propan-2-ylcyclohexane
PubChem CID90475813
Molecular FormulaC10H19Br
Molecular Weight219.17 g/mol
Exact Mass218.07
IUPAC Name1-bromo-1-methyl-4-propan-2-ylcyclohexane
SMILESCC(C)C1CCC(C)(Br)CC1
InChIInChI=1S/C10H19Br/c1-8(2)9-4-6-10(3,11)7-5-9/h8-9H,4-7H2,1-3H3
InChIKeyFTXVICPEAXEBQN-UHFFFAOYSA-N
XLogP3.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
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

(4R)-7,7-dibromo-1-methyl-4-propan-2-ylbicyclo[4.1.0]heptane
CID 14607137
1,1-dimethyl-4-propan-2-ylcyclohexane;propan-2-ylcyclohexane
CID 165006340
1-methyl-4-propan-2-ylcyclohexan-1-ol;hydrate
CID 141162449
sodium 1-methyl-4-propan-2-ylcyclohexan-1-olate
CID 140986186
CID 174102089
CID 174102089
trans-(2R,4R)-1-methyl-4-propan-2-ylcyclohexane-1,2-diol
CID 54292427
1-fluoro-1-methyl-3-propan-2-ylcyclopentane
CID 118410768
1-methyl-4-propan-2-ylcycloheptan-1-amine
CID 65086761
(5R)-2,2-dimethyl-5-propan-2-ylpiperidine
CID 139339152
7-propan-2-yl-2λ6-thiaspiro[3.5]nonane 2,2-dioxide
CID 137390183
CID 174063087
CID 174063087
propan-2-ylcyclopropane;hydroiodide
CID 162314014

Frequently Asked Questions

What is the IUPAC name of 1-bromo-1-methyl-4-propan-2-ylcyclohexane?
The IUPAC name of 1-bromo-1-methyl-4-propan-2-ylcyclohexane (CID 90475813) is 1-bromo-1-methyl-4-propan-2-ylcyclohexane.
What is the SMILES notation for 1-bromo-1-methyl-4-propan-2-ylcyclohexane?
The canonical SMILES for 1-bromo-1-methyl-4-propan-2-ylcyclohexane is CC(C)C1CCC(C)(Br)CC1.
What is the InChIKey of 1-bromo-1-methyl-4-propan-2-ylcyclohexane?
The InChIKey is FTXVICPEAXEBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19Br/c1-8(2)9-4-6-10(3,11)7-5-9/h8-9H,4-7H2,1-3H3.
What are the key properties of 1-bromo-1-methyl-4-propan-2-ylcyclohexane?
1-bromo-1-methyl-4-propan-2-ylcyclohexane has a molecular weight of 219.17 g/mol, XLogP of 3.99, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-1-methyl-4-propan-2-ylcyclohexane is sourced from PubChem (CID 90475813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).