1-(bromomethyl)-1-(2-methylpropoxy)cycloheptane

C12H23BrO — CID 62112365

IUPAC1-(bromomethyl)-1-(2-methylpropoxy)cycloheptane
SMILESCC(C)COC1(CBr)CCCCCC1
InChIInChI=1S/C12H23BrO/c1-11(2)9-14-12(10-13)7-5-3-4-6-8-12/h11H,3-10H2,1-2H3
InChIKeyQFCDOGFGPVHGRX-UHFFFAOYSA-N
MW263.22 g/mol
LogP4.15
Rot. Bonds4

About 1-(bromomethyl)-1-(2-methylpropoxy)cycloheptane

1-(bromomethyl)-1-(2-methylpropoxy)cycloheptane (PubChem CID 62112365) has the molecular formula C12H23BrO and a molecular weight of 263.22 g/mol. Its IUPAC name is 1-(bromomethyl)-1-(2-methylpropoxy)cycloheptane.

Molecular Properties

Compound Name1-(bromomethyl)-1-(2-methylpropoxy)cycloheptane
PubChem CID62112365
Molecular FormulaC12H23BrO
Molecular Weight263.22 g/mol
Exact Mass262.09
IUPAC Name1-(bromomethyl)-1-(2-methylpropoxy)cycloheptane
SMILESCC(C)COC1(CBr)CCCCCC1
InChIInChI=1S/C12H23BrO/c1-11(2)9-14-12(10-13)7-5-3-4-6-8-12/h11H,3-10H2,1-2H3
InChIKeyQFCDOGFGPVHGRX-UHFFFAOYSA-N
XLogP4.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 54.15
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-(methoxymethyl)cycloheptane
CID 65010055
2-(Bromomethyl)-1-oxaspiro[4.6]undecane
CID 130582517
2-Bromomethyl-1-oxaspiro-[2.6]nonane
CID 10513046
2-[2-(Bromomethyl)butyl]oxolane
CID 66041849
6,6'-Dibrom-dihexylather
CID 129648379
(r)-(+)-1-Bromo-6-t-butoxy-4-methylhexane
CID 129775794
1-(Bromomethyl)-1-(2,2,2-trifluoroethoxy)cycloheptane
CID 62107273
1-(Bromomethyl)-1-[(1,1,1-trifluoropropan-2-yl)oxy]cycloheptane
CID 66275724
1-(Bromomethyl)-1-(2,2-difluoroethoxy)cycloheptane
CID 82006476
1-(Bromomethyl)-1-(4,4,4-trifluorobutoxy)cycloheptane
CID 82792487
1-(Bromomethyl)-1-(3,3,3-trifluoropropoxy)cycloheptane
CID 82958555
1-(Bromomethyl)-1-(2,2-difluoropropoxy)cycloheptane
CID 165873584

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-1-(2-methylpropoxy)cycloheptane?
The IUPAC name of 1-(bromomethyl)-1-(2-methylpropoxy)cycloheptane (CID 62112365) is 1-(bromomethyl)-1-(2-methylpropoxy)cycloheptane.
What is the SMILES notation for 1-(bromomethyl)-1-(2-methylpropoxy)cycloheptane?
The canonical SMILES for 1-(bromomethyl)-1-(2-methylpropoxy)cycloheptane is CC(C)COC1(CBr)CCCCCC1.
What is the InChIKey of 1-(bromomethyl)-1-(2-methylpropoxy)cycloheptane?
The InChIKey is QFCDOGFGPVHGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23BrO/c1-11(2)9-14-12(10-13)7-5-3-4-6-8-12/h11H,3-10H2,1-2H3.
What are the key properties of 1-(bromomethyl)-1-(2-methylpropoxy)cycloheptane?
1-(bromomethyl)-1-(2-methylpropoxy)cycloheptane has a molecular weight of 263.22 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-1-(2-methylpropoxy)cycloheptane is sourced from PubChem (CID 62112365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).