1-(bromomethyl)-4-(2-methylpropoxy)cyclohexane

C11H21BrO — CID 19099396

IUPAC1-(bromomethyl)-4-(2-methylpropoxy)cyclohexane
SMILESCC(C)COC1CCC(CBr)CC1
InChIInChI=1S/C11H21BrO/c1-9(2)8-13-11-5-3-10(7-12)4-6-11/h9-11H,3-8H2,1-2H3
InChIKeyRHJPHAONEZSKFH-UHFFFAOYSA-N
MW249.19 g/mol
LogP3.61
Rot. Bonds4

About 1-(bromomethyl)-4-(2-methylpropoxy)cyclohexane

1-(bromomethyl)-4-(2-methylpropoxy)cyclohexane (PubChem CID 19099396) has the molecular formula C11H21BrO and a molecular weight of 249.19 g/mol. Its IUPAC name is 1-(bromomethyl)-4-(2-methylpropoxy)cyclohexane.

Molecular Properties

Compound Name1-(bromomethyl)-4-(2-methylpropoxy)cyclohexane
PubChem CID19099396
Molecular FormulaC11H21BrO
Molecular Weight249.19 g/mol
Exact Mass248.08
IUPAC Name1-(bromomethyl)-4-(2-methylpropoxy)cyclohexane
SMILESCC(C)COC1CCC(CBr)CC1
InChIInChI=1S/C11H21BrO/c1-9(2)8-13-11-5-3-10(7-12)4-6-11/h9-11H,3-8H2,1-2H3
InChIKeyRHJPHAONEZSKFH-UHFFFAOYSA-N
XLogP3.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 53.61
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)-4-methoxycyclohexane
CID 21706529
rac-(2R,4r,6S)-4-(bromomethyl)-2,6-dimethyloxane
CID 132342059
4-(Bromomethyl)-2-methyloxane
CID 66470864
(2-Bromo-1-methoxyethyl)cyclohexane
CID 122164135
(r)-(+)-1-Bromo-6-t-butoxy-4-methylhexane
CID 129775794
1-(Bromomethyl)-4-methyl-1-[(1,1,1-trifluoropropan-2-yl)oxy]cyclohexane
CID 66276158
1-Ethoxy-4-methylcyclohexane
CID 17894801
1-(Bromomethyl)-4-[(2-methylpropan-2-yl)oxymethyl]cyclohexane
CID 19099372
1-(Bromomethyl)-4-(hexoxymethyl)cyclohexane
CID 19099373
1-(Bromomethyl)-4-(propan-2-yloxymethyl)cyclohexane
CID 19099374
1-(Bromomethyl)-4-(2-methylpropoxymethyl)cyclohexane
CID 19099381
1-(Bromomethyl)-4-propoxycyclohexane
CID 19099382

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-4-(2-methylpropoxy)cyclohexane?
The IUPAC name of 1-(bromomethyl)-4-(2-methylpropoxy)cyclohexane (CID 19099396) is 1-(bromomethyl)-4-(2-methylpropoxy)cyclohexane.
What is the SMILES notation for 1-(bromomethyl)-4-(2-methylpropoxy)cyclohexane?
The canonical SMILES for 1-(bromomethyl)-4-(2-methylpropoxy)cyclohexane is CC(C)COC1CCC(CBr)CC1.
What is the InChIKey of 1-(bromomethyl)-4-(2-methylpropoxy)cyclohexane?
The InChIKey is RHJPHAONEZSKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21BrO/c1-9(2)8-13-11-5-3-10(7-12)4-6-11/h9-11H,3-8H2,1-2H3.
What are the key properties of 1-(bromomethyl)-4-(2-methylpropoxy)cyclohexane?
1-(bromomethyl)-4-(2-methylpropoxy)cyclohexane has a molecular weight of 249.19 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-4-(2-methylpropoxy)cyclohexane is sourced from PubChem (CID 19099396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).