1-(bromomethyl)-1-(2-cyclopropylethoxy)cyclohexane

C12H21BrO — CID 106204781

IUPAC1-(bromomethyl)-1-(2-cyclopropylethoxy)cyclohexane
SMILESBrCC1(OCCC2CC2)CCCCC1
InChIInChI=1S/C12H21BrO/c13-10-12(7-2-1-3-8-12)14-9-6-11-4-5-11/h11H,1-10H2
InChIKeyPFAJOJLJQICIDO-UHFFFAOYSA-N
MW261.20 g/mol
LogP3.90
Rot. Bonds5

About 1-(bromomethyl)-1-(2-cyclopropylethoxy)cyclohexane

1-(bromomethyl)-1-(2-cyclopropylethoxy)cyclohexane (PubChem CID 106204781) has the molecular formula C12H21BrO and a molecular weight of 261.20 g/mol. Its IUPAC name is 1-(bromomethyl)-1-(2-cyclopropylethoxy)cyclohexane.

Molecular Properties

Compound Name1-(bromomethyl)-1-(2-cyclopropylethoxy)cyclohexane
PubChem CID106204781
Molecular FormulaC12H21BrO
Molecular Weight261.20 g/mol
Exact Mass260.08
IUPAC Name1-(bromomethyl)-1-(2-cyclopropylethoxy)cyclohexane
SMILESBrCC1(OCCC2CC2)CCCCC1
InChIInChI=1S/C12H21BrO/c13-10-12(7-2-1-3-8-12)14-9-6-11-4-5-11/h11H,1-10H2
InChIKeyPFAJOJLJQICIDO-UHFFFAOYSA-N
XLogP3.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.20
LogP ≤ 53.90
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-(3-cyclopropylpropoxy)cyclopentane
CID 165489609
N-[[1-(2-cyclopropylethoxy)cycloheptyl]methyl]cyclopropanamine
CID 106204875
1-(bromomethyl)-1-(2-cyclopropylethoxymethyl)cyclohexane
CID 106201182
1-(bromomethyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclopentane
CID 112589326
4-[[1-(bromomethyl)cyclohexyl]oxymethyl]oxane
CID 62382188
3-[[1-(bromomethyl)cyclohexyl]oxymethyl]oxolane
CID 62108159
1-(bromomethyl)-1-cyclopropyloxycycloheptane
CID 165489771
1-(bromomethyl)-1-(2-ethoxyethoxy)cyclopentane
CID 62112037
1-(bromomethyl)-1-cyclobutyloxycycloheptane
CID 62381818
1-(bromomethyl)-1-(2-methoxy-2-methylpropoxy)cycloheptane
CID 165493676
1-(bromomethyl)-1-(2-butoxyethoxy)-4-propylcyclohexane
CID 63476016
1-(bromomethyl)-1-(2,2-difluoropropoxy)cyclopentane
CID 165493036

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-1-(2-cyclopropylethoxy)cyclohexane?
The IUPAC name of 1-(bromomethyl)-1-(2-cyclopropylethoxy)cyclohexane (CID 106204781) is 1-(bromomethyl)-1-(2-cyclopropylethoxy)cyclohexane.
What is the SMILES notation for 1-(bromomethyl)-1-(2-cyclopropylethoxy)cyclohexane?
The canonical SMILES for 1-(bromomethyl)-1-(2-cyclopropylethoxy)cyclohexane is BrCC1(OCCC2CC2)CCCCC1.
What is the InChIKey of 1-(bromomethyl)-1-(2-cyclopropylethoxy)cyclohexane?
The InChIKey is PFAJOJLJQICIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21BrO/c13-10-12(7-2-1-3-8-12)14-9-6-11-4-5-11/h11H,1-10H2.
What are the key properties of 1-(bromomethyl)-1-(2-cyclopropylethoxy)cyclohexane?
1-(bromomethyl)-1-(2-cyclopropylethoxy)cyclohexane has a molecular weight of 261.20 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-1-(2-cyclopropylethoxy)cyclohexane is sourced from PubChem (CID 106204781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).