1-bromo-2-(2-methylbutyl)-4-propan-2-ylcyclohexane

C14H27Br — CID 63471498

IUPAC1-bromo-2-(2-methylbutyl)-4-propan-2-ylcyclohexane
SMILESCCC(C)CC1CC(C(C)C)CCC1Br
InChIInChI=1S/C14H27Br/c1-5-11(4)8-13-9-12(10(2)3)6-7-14(13)15/h10-14H,5-9H2,1-4H3
InChIKeyWYHSUKFVKQUNHM-UHFFFAOYSA-N
MW275.27 g/mol
LogP5.26
Rot. Bonds4

About 1-bromo-2-(2-methylbutyl)-4-propan-2-ylcyclohexane

1-bromo-2-(2-methylbutyl)-4-propan-2-ylcyclohexane (PubChem CID 63471498) has the molecular formula C14H27Br and a molecular weight of 275.27 g/mol. Its IUPAC name is 1-bromo-2-(2-methylbutyl)-4-propan-2-ylcyclohexane.

Molecular Properties

Compound Name1-bromo-2-(2-methylbutyl)-4-propan-2-ylcyclohexane
PubChem CID63471498
Molecular FormulaC14H27Br
Molecular Weight275.27 g/mol
Exact Mass274.13
IUPAC Name1-bromo-2-(2-methylbutyl)-4-propan-2-ylcyclohexane
SMILESCCC(C)CC1CC(C(C)C)CCC1Br
InChIInChI=1S/C14H27Br/c1-5-11(4)8-13-9-12(10(2)3)6-7-14(13)15/h10-14H,5-9H2,1-4H3
InChIKeyWYHSUKFVKQUNHM-UHFFFAOYSA-N
XLogP5.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.27
LogP ≤ 55.26
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

2-(2-methylbutyl)-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 81020503
2-(2-methylbutyl)-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 63401154
2-methyl-N-[[2-(2-methylbutyl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine
CID 81031122
3-(2-bromo-5-propan-2-ylcyclohexyl)propylbenzene
CID 63473396
1-[(2-bromo-5-propan-2-ylcyclohexyl)methyl]-3,5-dimethylbenzene
CID 55191885
1-methyl-2-(2-methylbutyl)cyclopropane
CID 91076617
1-bromo-2-(2-ethylbutyl)-4-methylcyclohexane
CID 82930326
N-ethyl-2-(2-methylpentyl)-4-propan-2-ylcyclohexan-1-amine
CID 55186543
5-[(2-bromo-5-propan-2-ylcyclohexyl)methyl]-1,3-thiazole
CID 112643860
2-(2-bromo-5-propan-2-ylcyclohexyl)ethylsulfanylbenzene
CID 79228664
2-ethyl-4-propan-2-ylcyclohexan-1-ol
CID 58534339
4-propan-2-ylcyclohexane-1,2-diamine
CID 22415223

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(2-methylbutyl)-4-propan-2-ylcyclohexane?
The IUPAC name of 1-bromo-2-(2-methylbutyl)-4-propan-2-ylcyclohexane (CID 63471498) is 1-bromo-2-(2-methylbutyl)-4-propan-2-ylcyclohexane.
What is the SMILES notation for 1-bromo-2-(2-methylbutyl)-4-propan-2-ylcyclohexane?
The canonical SMILES for 1-bromo-2-(2-methylbutyl)-4-propan-2-ylcyclohexane is CCC(C)CC1CC(C(C)C)CCC1Br.
What is the InChIKey of 1-bromo-2-(2-methylbutyl)-4-propan-2-ylcyclohexane?
The InChIKey is WYHSUKFVKQUNHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27Br/c1-5-11(4)8-13-9-12(10(2)3)6-7-14(13)15/h10-14H,5-9H2,1-4H3.
What are the key properties of 1-bromo-2-(2-methylbutyl)-4-propan-2-ylcyclohexane?
1-bromo-2-(2-methylbutyl)-4-propan-2-ylcyclohexane has a molecular weight of 275.27 g/mol, XLogP of 5.26, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(2-methylbutyl)-4-propan-2-ylcyclohexane is sourced from PubChem (CID 63471498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).