1-(bromomethyl)-4-[(2-methylpropan-2-yl)oxymethyl]cyclohexane

C12H23BrO — CID 19099372

IUPAC1-(bromomethyl)-4-[(2-methylpropan-2-yl)oxymethyl]cyclohexane
SMILESCC(C)(C)OCC1CCC(CBr)CC1
InChIInChI=1S/C12H23BrO/c1-12(2,3)14-9-11-6-4-10(8-13)5-7-11/h10-11H,4-9H2,1-3H3
InChIKeySACYUKCRRKQGAO-UHFFFAOYSA-N
MW263.22 g/mol
LogP4.00
Rot. Bonds3

About 1-(bromomethyl)-4-[(2-methylpropan-2-yl)oxymethyl]cyclohexane

1-(bromomethyl)-4-[(2-methylpropan-2-yl)oxymethyl]cyclohexane (PubChem CID 19099372) has the molecular formula C12H23BrO and a molecular weight of 263.22 g/mol. Its IUPAC name is 1-(bromomethyl)-4-[(2-methylpropan-2-yl)oxymethyl]cyclohexane.

Molecular Properties

Compound Name1-(bromomethyl)-4-[(2-methylpropan-2-yl)oxymethyl]cyclohexane
PubChem CID19099372
Molecular FormulaC12H23BrO
Molecular Weight263.22 g/mol
Exact Mass262.09
IUPAC Name1-(bromomethyl)-4-[(2-methylpropan-2-yl)oxymethyl]cyclohexane
SMILESCC(C)(C)OCC1CCC(CBr)CC1
InChIInChI=1S/C12H23BrO/c1-12(2,3)14-9-11-6-4-10(8-13)5-7-11/h10-11H,4-9H2,1-3H3
InChIKeySACYUKCRRKQGAO-UHFFFAOYSA-N
XLogP4.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-4-[(2-methylpropan-2-yl)oxymethyl]cyclohexane?
The IUPAC name of 1-(bromomethyl)-4-[(2-methylpropan-2-yl)oxymethyl]cyclohexane (CID 19099372) is 1-(bromomethyl)-4-[(2-methylpropan-2-yl)oxymethyl]cyclohexane.
What is the SMILES notation for 1-(bromomethyl)-4-[(2-methylpropan-2-yl)oxymethyl]cyclohexane?
The canonical SMILES for 1-(bromomethyl)-4-[(2-methylpropan-2-yl)oxymethyl]cyclohexane is CC(C)(C)OCC1CCC(CBr)CC1.
What is the InChIKey of 1-(bromomethyl)-4-[(2-methylpropan-2-yl)oxymethyl]cyclohexane?
The InChIKey is SACYUKCRRKQGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23BrO/c1-12(2,3)14-9-11-6-4-10(8-13)5-7-11/h10-11H,4-9H2,1-3H3.
What are the key properties of 1-(bromomethyl)-4-[(2-methylpropan-2-yl)oxymethyl]cyclohexane?
1-(bromomethyl)-4-[(2-methylpropan-2-yl)oxymethyl]cyclohexane has a molecular weight of 263.22 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-4-[(2-methylpropan-2-yl)oxymethyl]cyclohexane is sourced from PubChem (CID 19099372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).