(1S)-3-(2-bromoethyl)-1,2,2-trimethylbicyclo[3.1.0]hexane

C11H19Br — CID 164818444

IUPAC(1S)-3-(2-bromoethyl)-1,2,2-trimethylbicyclo[3.1.0]hexane
SMILESCC1(C)C(CCBr)CC2C[C@@]21C
InChIInChI=1S/C11H19Br/c1-10(2)8(4-5-12)6-9-7-11(9,10)3/h8-9H,4-7H2,1-3H3/t8?,9?,11-/m0/s1
InChIKeyFHTSMUUHFAIJIU-AMUVOQDHSA-N
MW231.18 g/mol
LogP3.84
Rot. Bonds2

About (1S)-3-(2-bromoethyl)-1,2,2-trimethylbicyclo[3.1.0]hexane

(1S)-3-(2-bromoethyl)-1,2,2-trimethylbicyclo[3.1.0]hexane (PubChem CID 164818444) has the molecular formula C11H19Br and a molecular weight of 231.18 g/mol. Its IUPAC name is (1S)-3-(2-bromoethyl)-1,2,2-trimethylbicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(1S)-3-(2-bromoethyl)-1,2,2-trimethylbicyclo[3.1.0]hexane
PubChem CID164818444
Molecular FormulaC11H19Br
Molecular Weight231.18 g/mol
Exact Mass230.07
IUPAC Name(1S)-3-(2-bromoethyl)-1,2,2-trimethylbicyclo[3.1.0]hexane
SMILESCC1(C)C(CCBr)CC2C[C@@]21C
InChIInChI=1S/C11H19Br/c1-10(2)8(4-5-12)6-9-7-11(9,10)3/h8-9H,4-7H2,1-3H3/t8?,9?,11-/m0/s1
InChIKeyFHTSMUUHFAIJIU-AMUVOQDHSA-N
XLogP3.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.18
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 (1S)-3-(2-bromoethyl)-1,2,2-trimethylbicyclo[3.1.0]hexane?
The IUPAC name of (1S)-3-(2-bromoethyl)-1,2,2-trimethylbicyclo[3.1.0]hexane (CID 164818444) is (1S)-3-(2-bromoethyl)-1,2,2-trimethylbicyclo[3.1.0]hexane.
What is the SMILES notation for (1S)-3-(2-bromoethyl)-1,2,2-trimethylbicyclo[3.1.0]hexane?
The canonical SMILES for (1S)-3-(2-bromoethyl)-1,2,2-trimethylbicyclo[3.1.0]hexane is CC1(C)C(CCBr)CC2C[C@@]21C.
What is the InChIKey of (1S)-3-(2-bromoethyl)-1,2,2-trimethylbicyclo[3.1.0]hexane?
The InChIKey is FHTSMUUHFAIJIU-AMUVOQDHSA-N. The full InChI is InChI=1S/C11H19Br/c1-10(2)8(4-5-12)6-9-7-11(9,10)3/h8-9H,4-7H2,1-3H3/t8?,9?,11-/m0/s1.
What are the key properties of (1S)-3-(2-bromoethyl)-1,2,2-trimethylbicyclo[3.1.0]hexane?
(1S)-3-(2-bromoethyl)-1,2,2-trimethylbicyclo[3.1.0]hexane has a molecular weight of 231.18 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3-(2-bromoethyl)-1,2,2-trimethylbicyclo[3.1.0]hexane is sourced from PubChem (CID 164818444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).