1-(bromomethyl)-3-methyl-1-(4-methylcyclohexyl)oxycyclohexane

C15H27BrO — CID 63470076

IUPAC1-(bromomethyl)-3-methyl-1-(4-methylcyclohexyl)oxycyclohexane
SMILESCC1CCC(OC2(CBr)CCCC(C)C2)CC1
InChIInChI=1S/C15H27BrO/c1-12-5-7-14(8-6-12)17-15(11-16)9-3-4-13(2)10-15/h12-14H,3-11H2,1-2H3
InChIKeyXNMXMKAFJPEKTB-UHFFFAOYSA-N
MW303.28 g/mol
LogP4.93
Rot. Bonds3

About 1-(bromomethyl)-3-methyl-1-(4-methylcyclohexyl)oxycyclohexane

1-(bromomethyl)-3-methyl-1-(4-methylcyclohexyl)oxycyclohexane (PubChem CID 63470076) has the molecular formula C15H27BrO and a molecular weight of 303.28 g/mol. Its IUPAC name is 1-(bromomethyl)-3-methyl-1-(4-methylcyclohexyl)oxycyclohexane.

Molecular Properties

Compound Name1-(bromomethyl)-3-methyl-1-(4-methylcyclohexyl)oxycyclohexane
PubChem CID63470076
Molecular FormulaC15H27BrO
Molecular Weight303.28 g/mol
Exact Mass302.12
IUPAC Name1-(bromomethyl)-3-methyl-1-(4-methylcyclohexyl)oxycyclohexane
SMILESCC1CCC(OC2(CBr)CCCC(C)C2)CC1
InChIInChI=1S/C15H27BrO/c1-12-5-7-14(8-6-12)17-15(11-16)9-3-4-13(2)10-15/h12-14H,3-11H2,1-2H3
InChIKeyXNMXMKAFJPEKTB-UHFFFAOYSA-N
XLogP4.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 54.93
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-cyclopropyloxycycloheptane
CID 165489771
1-(bromomethyl)-1-(cyclobutylmethoxy)-3-methylcyclohexane
CID 165489879
4-[1-(iodomethyl)-3-methylcyclohexyl]oxyoxane
CID 165489538
N-[(1-cyclobutyloxy-3-methylcyclohexyl)methyl]propan-2-amine
CID 62383858
[1-(4-methylcyclohexyl)oxycycloheptyl]methanamine
CID 55036284
1-(iodomethyl)-3-methyl-1-(3-methylcyclohexyl)oxycyclohexane
CID 114773602
[3-methyl-1-(3-methylcyclohexyl)oxycyclohexyl]methanamine
CID 62109093
1-(bromomethyl)-1-cyclobutyloxycycloheptane
CID 62381818
N-methyl-1-[1-(4-methylcyclohexyl)oxycycloheptyl]methanamine
CID 62107213
[4-methyl-1-(4-methylcyclohexyl)oxycyclohexyl]methanamine
CID 62107560
N-[[1-(4-methylcyclohexyl)oxycycloheptyl]methyl]cyclopropanamine
CID 63476043
N-[[1-(4-methylcyclohexyl)oxycyclopentyl]methyl]propan-1-amine
CID 62106143

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-3-methyl-1-(4-methylcyclohexyl)oxycyclohexane?
The IUPAC name of 1-(bromomethyl)-3-methyl-1-(4-methylcyclohexyl)oxycyclohexane (CID 63470076) is 1-(bromomethyl)-3-methyl-1-(4-methylcyclohexyl)oxycyclohexane.
What is the SMILES notation for 1-(bromomethyl)-3-methyl-1-(4-methylcyclohexyl)oxycyclohexane?
The canonical SMILES for 1-(bromomethyl)-3-methyl-1-(4-methylcyclohexyl)oxycyclohexane is CC1CCC(OC2(CBr)CCCC(C)C2)CC1.
What is the InChIKey of 1-(bromomethyl)-3-methyl-1-(4-methylcyclohexyl)oxycyclohexane?
The InChIKey is XNMXMKAFJPEKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27BrO/c1-12-5-7-14(8-6-12)17-15(11-16)9-3-4-13(2)10-15/h12-14H,3-11H2,1-2H3.
What are the key properties of 1-(bromomethyl)-3-methyl-1-(4-methylcyclohexyl)oxycyclohexane?
1-(bromomethyl)-3-methyl-1-(4-methylcyclohexyl)oxycyclohexane has a molecular weight of 303.28 g/mol, XLogP of 4.93, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-3-methyl-1-(4-methylcyclohexyl)oxycyclohexane is sourced from PubChem (CID 63470076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).