3-(bromomethyl)-1,1,2,2-tetramethylcyclopentane

C10H19Br — CID 57072074

IUPAC3-(bromomethyl)-1,1,2,2-tetramethylcyclopentane
SMILESCC1(C)CCC(CBr)C1(C)C
InChIInChI=1S/C10H19Br/c1-9(2)6-5-8(7-11)10(9,3)4/h8H,5-7H2,1-4H3
InChIKeyVSZACCKJWMDLQR-UHFFFAOYSA-N
MW219.17 g/mol
LogP3.84
Rot. Bonds1

About 3-(bromomethyl)-1,1,2,2-tetramethylcyclopentane

3-(bromomethyl)-1,1,2,2-tetramethylcyclopentane (PubChem CID 57072074) has the molecular formula C10H19Br and a molecular weight of 219.17 g/mol. Its IUPAC name is 3-(bromomethyl)-1,1,2,2-tetramethylcyclopentane.

Molecular Properties

Compound Name3-(bromomethyl)-1,1,2,2-tetramethylcyclopentane
PubChem CID57072074
Molecular FormulaC10H19Br
Molecular Weight219.17 g/mol
Exact Mass218.07
IUPAC Name3-(bromomethyl)-1,1,2,2-tetramethylcyclopentane
SMILESCC1(C)CCC(CBr)C1(C)C
InChIInChI=1S/C10H19Br/c1-9(2)6-5-8(7-11)10(9,3)4/h8H,5-7H2,1-4H3
InChIKeyVSZACCKJWMDLQR-UHFFFAOYSA-N
XLogP3.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.17
LogP ≤ 53.84
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 3-(bromomethyl)-1,1,2,2-tetramethylcyclopentane?
The IUPAC name of 3-(bromomethyl)-1,1,2,2-tetramethylcyclopentane (CID 57072074) is 3-(bromomethyl)-1,1,2,2-tetramethylcyclopentane.
What is the SMILES notation for 3-(bromomethyl)-1,1,2,2-tetramethylcyclopentane?
The canonical SMILES for 3-(bromomethyl)-1,1,2,2-tetramethylcyclopentane is CC1(C)CCC(CBr)C1(C)C.
What is the InChIKey of 3-(bromomethyl)-1,1,2,2-tetramethylcyclopentane?
The InChIKey is VSZACCKJWMDLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19Br/c1-9(2)6-5-8(7-11)10(9,3)4/h8H,5-7H2,1-4H3.
What are the key properties of 3-(bromomethyl)-1,1,2,2-tetramethylcyclopentane?
3-(bromomethyl)-1,1,2,2-tetramethylcyclopentane has a molecular weight of 219.17 g/mol, XLogP of 3.84, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-1,1,2,2-tetramethylcyclopentane is sourced from PubChem (CID 57072074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).