1-(bromomethyl)-1-(4-methylpentan-2-yloxymethyl)cyclohexane

C14H27BrO — CID 65001994

IUPAC1-(bromomethyl)-1-(4-methylpentan-2-yloxymethyl)cyclohexane
SMILESCC(C)CC(C)OCC1(CBr)CCCCC1
InChIInChI=1S/C14H27BrO/c1-12(2)9-13(3)16-11-14(10-15)7-5-4-6-8-14/h12-13H,4-11H2,1-3H3
InChIKeyNHIKVENZCSZNCZ-UHFFFAOYSA-N
MW291.27 g/mol
LogP4.78
Rot. Bonds6

About 1-(bromomethyl)-1-(4-methylpentan-2-yloxymethyl)cyclohexane

1-(bromomethyl)-1-(4-methylpentan-2-yloxymethyl)cyclohexane (PubChem CID 65001994) has the molecular formula C14H27BrO and a molecular weight of 291.27 g/mol. Its IUPAC name is 1-(bromomethyl)-1-(4-methylpentan-2-yloxymethyl)cyclohexane.

Molecular Properties

Compound Name1-(bromomethyl)-1-(4-methylpentan-2-yloxymethyl)cyclohexane
PubChem CID65001994
Molecular FormulaC14H27BrO
Molecular Weight291.27 g/mol
Exact Mass290.12
IUPAC Name1-(bromomethyl)-1-(4-methylpentan-2-yloxymethyl)cyclohexane
SMILESCC(C)CC(C)OCC1(CBr)CCCCC1
InChIInChI=1S/C14H27BrO/c1-12(2)9-13(3)16-11-14(10-15)7-5-4-6-8-14/h12-13H,4-11H2,1-3H3
InChIKeyNHIKVENZCSZNCZ-UHFFFAOYSA-N
XLogP4.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(bromomethyl)-1-(4-methylpentan-2-yloxymethyl)cyclopropane
CID 65008912
1-(bromomethyl)-1-(propan-2-yloxymethyl)cyclobutane
CID 65007526
1-(bromomethyl)-1-(2-methylpropoxymethyl)cyclohexane
CID 65001890
1-(bromomethyl)-1-[2-(2-methylpropoxy)ethoxymethyl]cyclohexane
CID 106447437
1-[[1-(bromomethyl)cyclohexyl]methoxy]ethylbenzene
CID 65001891
N-[[1-(bromomethyl)cyclopentyl]methyl]-N,3-dimethylbutan-1-amine
CID 65003333
[1-(bromomethyl)cyclopentyl]methoxycycloheptane
CID 65001141
N-[[1-(bromomethyl)cyclohexyl]methyl]-N-methyl-2-propan-2-yloxyethanamine
CID 81062152
1-(bromomethyl)-1-(methoxymethyl)cyclobutane
CID 65007363
1-(bromomethyl)-1-[(4-methylcyclohexyl)oxymethyl]cycloheptane
CID 65010154
4-(bromomethyl)-4-(propan-2-yloxymethyl)oxane
CID 65004630
1-(bromomethyl)-1-(2-ethoxyethoxymethyl)cyclohexane
CID 65001789

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-1-(4-methylpentan-2-yloxymethyl)cyclohexane?
The IUPAC name of 1-(bromomethyl)-1-(4-methylpentan-2-yloxymethyl)cyclohexane (CID 65001994) is 1-(bromomethyl)-1-(4-methylpentan-2-yloxymethyl)cyclohexane.
What is the SMILES notation for 1-(bromomethyl)-1-(4-methylpentan-2-yloxymethyl)cyclohexane?
The canonical SMILES for 1-(bromomethyl)-1-(4-methylpentan-2-yloxymethyl)cyclohexane is CC(C)CC(C)OCC1(CBr)CCCCC1.
What is the InChIKey of 1-(bromomethyl)-1-(4-methylpentan-2-yloxymethyl)cyclohexane?
The InChIKey is NHIKVENZCSZNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27BrO/c1-12(2)9-13(3)16-11-14(10-15)7-5-4-6-8-14/h12-13H,4-11H2,1-3H3.
What are the key properties of 1-(bromomethyl)-1-(4-methylpentan-2-yloxymethyl)cyclohexane?
1-(bromomethyl)-1-(4-methylpentan-2-yloxymethyl)cyclohexane has a molecular weight of 291.27 g/mol, XLogP of 4.78, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-1-(4-methylpentan-2-yloxymethyl)cyclohexane is sourced from PubChem (CID 65001994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).