1-(bromomethyl)-1-(cyclohexylmethoxy)cycloheptane

C15H27BrO — CID 55193061

IUPAC1-(bromomethyl)-1-(cyclohexylmethoxy)cycloheptane
SMILESBrCC1(OCC2CCCCC2)CCCCCC1
InChIInChI=1S/C15H27BrO/c16-13-15(10-6-1-2-7-11-15)17-12-14-8-4-3-5-9-14/h14H,1-13H2
InChIKeyIROXNBXNCHXVKC-UHFFFAOYSA-N
MW303.28 g/mol
LogP5.07
Rot. Bonds4

About 1-(bromomethyl)-1-(cyclohexylmethoxy)cycloheptane

1-(bromomethyl)-1-(cyclohexylmethoxy)cycloheptane (PubChem CID 55193061) has the molecular formula C15H27BrO and a molecular weight of 303.28 g/mol. Its IUPAC name is 1-(bromomethyl)-1-(cyclohexylmethoxy)cycloheptane.

Molecular Properties

Compound Name1-(bromomethyl)-1-(cyclohexylmethoxy)cycloheptane
PubChem CID55193061
Molecular FormulaC15H27BrO
Molecular Weight303.28 g/mol
Exact Mass302.12
IUPAC Name1-(bromomethyl)-1-(cyclohexylmethoxy)cycloheptane
SMILESBrCC1(OCC2CCCCC2)CCCCCC1
InChIInChI=1S/C15H27BrO/c16-13-15(10-6-1-2-7-11-15)17-12-14-8-4-3-5-9-14/h14H,1-13H2
InChIKeyIROXNBXNCHXVKC-UHFFFAOYSA-N
XLogP5.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.28
LogP ≤ 55.07
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)-1-(cyclohexylmethoxy)cycloheptane?
The IUPAC name of 1-(bromomethyl)-1-(cyclohexylmethoxy)cycloheptane (CID 55193061) is 1-(bromomethyl)-1-(cyclohexylmethoxy)cycloheptane.
What is the SMILES notation for 1-(bromomethyl)-1-(cyclohexylmethoxy)cycloheptane?
The canonical SMILES for 1-(bromomethyl)-1-(cyclohexylmethoxy)cycloheptane is BrCC1(OCC2CCCCC2)CCCCCC1.
What is the InChIKey of 1-(bromomethyl)-1-(cyclohexylmethoxy)cycloheptane?
The InChIKey is IROXNBXNCHXVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27BrO/c16-13-15(10-6-1-2-7-11-15)17-12-14-8-4-3-5-9-14/h14H,1-13H2.
What are the key properties of 1-(bromomethyl)-1-(cyclohexylmethoxy)cycloheptane?
1-(bromomethyl)-1-(cyclohexylmethoxy)cycloheptane has a molecular weight of 303.28 g/mol, XLogP of 5.07, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-1-(cyclohexylmethoxy)cycloheptane is sourced from PubChem (CID 55193061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).