3-(2-bromoethyl)-1,1-dimethylcyclopentane

C9H17Br — CID 66911718

IUPAC3-(2-bromoethyl)-1,1-dimethylcyclopentane
SMILESCC1(C)CCC(CCBr)C1
InChIInChI=1S/C9H17Br/c1-9(2)5-3-8(7-9)4-6-10/h8H,3-7H2,1-2H3
InChIKeyLESCXPDVZDPIMQ-UHFFFAOYSA-N
MW205.14 g/mol
LogP3.60
Rot. Bonds2

About 3-(2-bromoethyl)-1,1-dimethylcyclopentane

3-(2-bromoethyl)-1,1-dimethylcyclopentane (PubChem CID 66911718) has the molecular formula C9H17Br and a molecular weight of 205.14 g/mol. Its IUPAC name is 3-(2-bromoethyl)-1,1-dimethylcyclopentane.

Molecular Properties

Compound Name3-(2-bromoethyl)-1,1-dimethylcyclopentane
PubChem CID66911718
Molecular FormulaC9H17Br
Molecular Weight205.14 g/mol
Exact Mass204.05
IUPAC Name3-(2-bromoethyl)-1,1-dimethylcyclopentane
SMILESCC1(C)CCC(CCBr)C1
InChIInChI=1S/C9H17Br/c1-9(2)5-3-8(7-9)4-6-10/h8H,3-7H2,1-2H3
InChIKeyLESCXPDVZDPIMQ-UHFFFAOYSA-N
XLogP3.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.14
LogP ≤ 53.60
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-(2-bromoethyl)-1,1-dimethylcyclopentane?
The IUPAC name of 3-(2-bromoethyl)-1,1-dimethylcyclopentane (CID 66911718) is 3-(2-bromoethyl)-1,1-dimethylcyclopentane.
What is the SMILES notation for 3-(2-bromoethyl)-1,1-dimethylcyclopentane?
The canonical SMILES for 3-(2-bromoethyl)-1,1-dimethylcyclopentane is CC1(C)CCC(CCBr)C1.
What is the InChIKey of 3-(2-bromoethyl)-1,1-dimethylcyclopentane?
The InChIKey is LESCXPDVZDPIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17Br/c1-9(2)5-3-8(7-9)4-6-10/h8H,3-7H2,1-2H3.
What are the key properties of 3-(2-bromoethyl)-1,1-dimethylcyclopentane?
3-(2-bromoethyl)-1,1-dimethylcyclopentane has a molecular weight of 205.14 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromoethyl)-1,1-dimethylcyclopentane is sourced from PubChem (CID 66911718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).