2-(2-chloroethyl)-5,5-dimethylbicyclo[2.1.1]hex-2-ene

C10H15Cl — CID 89263534

IUPAC2-(2-chloroethyl)-5,5-dimethylbicyclo[2.1.1]hex-2-ene
SMILESCC1(C)C2C=C(CCCl)C1C2
InChIInChI=1S/C10H15Cl/c1-10(2)8-5-7(3-4-11)9(10)6-8/h5,8-9H,3-4,6H2,1-2H3
InChIKeyRCBBEFHGAMYAPD-UHFFFAOYSA-N
MW170.68 g/mol
LogP3.22
Rot. Bonds2

About 2-(2-chloroethyl)-5,5-dimethylbicyclo[2.1.1]hex-2-ene

2-(2-chloroethyl)-5,5-dimethylbicyclo[2.1.1]hex-2-ene (PubChem CID 89263534) has the molecular formula C10H15Cl and a molecular weight of 170.68 g/mol. Its IUPAC name is 2-(2-chloroethyl)-5,5-dimethylbicyclo[2.1.1]hex-2-ene.

Molecular Properties

Compound Name2-(2-chloroethyl)-5,5-dimethylbicyclo[2.1.1]hex-2-ene
PubChem CID89263534
Molecular FormulaC10H15Cl
Molecular Weight170.68 g/mol
Exact Mass170.09
IUPAC Name2-(2-chloroethyl)-5,5-dimethylbicyclo[2.1.1]hex-2-ene
SMILESCC1(C)C2C=C(CCCl)C1C2
InChIInChI=1S/C10H15Cl/c1-10(2)8-5-7(3-4-11)9(10)6-8/h5,8-9H,3-4,6H2,1-2H3
InChIKeyRCBBEFHGAMYAPD-UHFFFAOYSA-N
XLogP3.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.68
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-5,5-dimethylbicyclo[2.1.1]hex-2-ene?
The IUPAC name of 2-(2-chloroethyl)-5,5-dimethylbicyclo[2.1.1]hex-2-ene (CID 89263534) is 2-(2-chloroethyl)-5,5-dimethylbicyclo[2.1.1]hex-2-ene.
What is the SMILES notation for 2-(2-chloroethyl)-5,5-dimethylbicyclo[2.1.1]hex-2-ene?
The canonical SMILES for 2-(2-chloroethyl)-5,5-dimethylbicyclo[2.1.1]hex-2-ene is CC1(C)C2C=C(CCCl)C1C2.
What is the InChIKey of 2-(2-chloroethyl)-5,5-dimethylbicyclo[2.1.1]hex-2-ene?
The InChIKey is RCBBEFHGAMYAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15Cl/c1-10(2)8-5-7(3-4-11)9(10)6-8/h5,8-9H,3-4,6H2,1-2H3.
What are the key properties of 2-(2-chloroethyl)-5,5-dimethylbicyclo[2.1.1]hex-2-ene?
2-(2-chloroethyl)-5,5-dimethylbicyclo[2.1.1]hex-2-ene has a molecular weight of 170.68 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-5,5-dimethylbicyclo[2.1.1]hex-2-ene is sourced from PubChem (CID 89263534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).