1-(bromomethyl)-4-(1-methylcyclopropyl)cyclohexane

C11H19Br — CID 147792299

IUPAC1-(bromomethyl)-4-(1-methylcyclopropyl)cyclohexane
SMILESCC1(C2CCC(CBr)CC2)CC1
InChIInChI=1S/C11H19Br/c1-11(6-7-11)10-4-2-9(8-12)3-5-10/h9-10H,2-8H2,1H3
InChIKeyHJWNCKZLGAPRFI-UHFFFAOYSA-N
MW231.18 g/mol
LogP3.99
Rot. Bonds2

About 1-(bromomethyl)-4-(1-methylcyclopropyl)cyclohexane

1-(bromomethyl)-4-(1-methylcyclopropyl)cyclohexane (PubChem CID 147792299) has the molecular formula C11H19Br and a molecular weight of 231.18 g/mol. Its IUPAC name is 1-(bromomethyl)-4-(1-methylcyclopropyl)cyclohexane.

Molecular Properties

Compound Name1-(bromomethyl)-4-(1-methylcyclopropyl)cyclohexane
PubChem CID147792299
Molecular FormulaC11H19Br
Molecular Weight231.18 g/mol
Exact Mass230.07
IUPAC Name1-(bromomethyl)-4-(1-methylcyclopropyl)cyclohexane
SMILESCC1(C2CCC(CBr)CC2)CC1
InChIInChI=1S/C11H19Br/c1-11(6-7-11)10-4-2-9(8-12)3-5-10/h9-10H,2-8H2,1H3
InChIKeyHJWNCKZLGAPRFI-UHFFFAOYSA-N
XLogP3.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.18
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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-(1-methylcyclopropyl)cyclohexane?
The IUPAC name of 1-(bromomethyl)-4-(1-methylcyclopropyl)cyclohexane (CID 147792299) is 1-(bromomethyl)-4-(1-methylcyclopropyl)cyclohexane.
What is the SMILES notation for 1-(bromomethyl)-4-(1-methylcyclopropyl)cyclohexane?
The canonical SMILES for 1-(bromomethyl)-4-(1-methylcyclopropyl)cyclohexane is CC1(C2CCC(CBr)CC2)CC1.
What is the InChIKey of 1-(bromomethyl)-4-(1-methylcyclopropyl)cyclohexane?
The InChIKey is HJWNCKZLGAPRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19Br/c1-11(6-7-11)10-4-2-9(8-12)3-5-10/h9-10H,2-8H2,1H3.
What are the key properties of 1-(bromomethyl)-4-(1-methylcyclopropyl)cyclohexane?
1-(bromomethyl)-4-(1-methylcyclopropyl)cyclohexane has a molecular weight of 231.18 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-4-(1-methylcyclopropyl)cyclohexane is sourced from PubChem (CID 147792299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).