1-(bromomethyl)-1-(2-methylbutan-2-yloxymethyl)cycloheptane

C14H27BrO — CID 65010010

IUPAC1-(bromomethyl)-1-(2-methylbutan-2-yloxymethyl)cycloheptane
SMILESCCC(C)(C)OCC1(CBr)CCCCCC1
InChIInChI=1S/C14H27BrO/c1-4-13(2,3)16-12-14(11-15)9-7-5-6-8-10-14/h4-12H2,1-3H3
InChIKeyXJKZDXJLXSIQCR-UHFFFAOYSA-N
MW291.27 g/mol
LogP4.93
Rot. Bonds5

About 1-(bromomethyl)-1-(2-methylbutan-2-yloxymethyl)cycloheptane

1-(bromomethyl)-1-(2-methylbutan-2-yloxymethyl)cycloheptane (PubChem CID 65010010) has the molecular formula C14H27BrO and a molecular weight of 291.27 g/mol. Its IUPAC name is 1-(bromomethyl)-1-(2-methylbutan-2-yloxymethyl)cycloheptane.

Molecular Properties

Compound Name1-(bromomethyl)-1-(2-methylbutan-2-yloxymethyl)cycloheptane
PubChem CID65010010
Molecular FormulaC14H27BrO
Molecular Weight291.27 g/mol
Exact Mass290.12
IUPAC Name1-(bromomethyl)-1-(2-methylbutan-2-yloxymethyl)cycloheptane
SMILESCCC(C)(C)OCC1(CBr)CCCCCC1
InChIInChI=1S/C14H27BrO/c1-4-13(2,3)16-12-14(11-15)9-7-5-6-8-10-14/h4-12H2,1-3H3
InChIKeyXJKZDXJLXSIQCR-UHFFFAOYSA-N
XLogP4.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
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-(2-methylbutan-2-yloxymethyl)cyclohexane
CID 65002451
1-(bromomethyl)-1-(3,3-dimethylbutoxymethyl)cyclohexane
CID 66234060
1-(bromomethyl)-1-(2-ethoxyethoxymethyl)cyclohexane
CID 65001789
N-[[1-(bromomethyl)cycloheptyl]methyl]-N,2-dimethylbutan-2-amine
CID 65007549
1-(bromomethyl)-1-(methoxymethyl)cyclobutane
CID 65007363
1-(bromomethyl)-1-(2-methylpropoxymethyl)cyclohexane
CID 65001890
1,1-bis(bromomethyl)cyclopentane
CID 12651156
1-(bromomethyl)-1-[(2,4,6-trimethylphenoxy)methyl]cycloheptane
CID 65010061
1-[[1-(bromomethyl)cyclohexyl]methoxy]-4-ethylbenzene
CID 65002392
1-(bromomethyl)-1-[(4-ethylphenoxy)methyl]cycloheptane
CID 65010002
1-(bromomethyl)-1-(2-cyclopropylethoxymethyl)cyclohexane
CID 106201182
1-(bromomethyl)-1-(4-methylpentan-2-yloxymethyl)cyclohexane
CID 65001994

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-1-(2-methylbutan-2-yloxymethyl)cycloheptane?
The IUPAC name of 1-(bromomethyl)-1-(2-methylbutan-2-yloxymethyl)cycloheptane (CID 65010010) is 1-(bromomethyl)-1-(2-methylbutan-2-yloxymethyl)cycloheptane.
What is the SMILES notation for 1-(bromomethyl)-1-(2-methylbutan-2-yloxymethyl)cycloheptane?
The canonical SMILES for 1-(bromomethyl)-1-(2-methylbutan-2-yloxymethyl)cycloheptane is CCC(C)(C)OCC1(CBr)CCCCCC1.
What is the InChIKey of 1-(bromomethyl)-1-(2-methylbutan-2-yloxymethyl)cycloheptane?
The InChIKey is XJKZDXJLXSIQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27BrO/c1-4-13(2,3)16-12-14(11-15)9-7-5-6-8-10-14/h4-12H2,1-3H3.
What are the key properties of 1-(bromomethyl)-1-(2-methylbutan-2-yloxymethyl)cycloheptane?
1-(bromomethyl)-1-(2-methylbutan-2-yloxymethyl)cycloheptane has a molecular weight of 291.27 g/mol, XLogP of 4.93, 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-methylbutan-2-yloxymethyl)cycloheptane is sourced from PubChem (CID 65010010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).