3-(chloromethyl)-3-(2-chloroprop-2-enyl)bicyclo[3.1.0]hexane

C10H14Cl2 — CID 165445671

IUPAC3-(chloromethyl)-3-(2-chloroprop-2-enyl)bicyclo[3.1.0]hexane
SMILESC=C(Cl)CC1(CCl)CC2CC2C1
InChIInChI=1S/C10H14Cl2/c1-7(12)3-10(6-11)4-8-2-9(8)5-10/h8-9H,1-6H2
InChIKeyCLHPWFBKUHOFLL-UHFFFAOYSA-N
MW205.13 g/mol
LogP3.78
Rot. Bonds3

About 3-(chloromethyl)-3-(2-chloroprop-2-enyl)bicyclo[3.1.0]hexane

3-(chloromethyl)-3-(2-chloroprop-2-enyl)bicyclo[3.1.0]hexane (PubChem CID 165445671) has the molecular formula C10H14Cl2 and a molecular weight of 205.13 g/mol. Its IUPAC name is 3-(chloromethyl)-3-(2-chloroprop-2-enyl)bicyclo[3.1.0]hexane.

Molecular Properties

Compound Name3-(chloromethyl)-3-(2-chloroprop-2-enyl)bicyclo[3.1.0]hexane
PubChem CID165445671
Molecular FormulaC10H14Cl2
Molecular Weight205.13 g/mol
Exact Mass204.05
IUPAC Name3-(chloromethyl)-3-(2-chloroprop-2-enyl)bicyclo[3.1.0]hexane
SMILESC=C(Cl)CC1(CCl)CC2CC2C1
InChIInChI=1S/C10H14Cl2/c1-7(12)3-10(6-11)4-8-2-9(8)5-10/h8-9H,1-6H2
InChIKeyCLHPWFBKUHOFLL-UHFFFAOYSA-N
XLogP3.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.13
LogP ≤ 53.78
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-(chloromethyl)-3-(2-chloroprop-2-enyl)bicyclo[3.1.0]hexane?
The IUPAC name of 3-(chloromethyl)-3-(2-chloroprop-2-enyl)bicyclo[3.1.0]hexane (CID 165445671) is 3-(chloromethyl)-3-(2-chloroprop-2-enyl)bicyclo[3.1.0]hexane.
What is the SMILES notation for 3-(chloromethyl)-3-(2-chloroprop-2-enyl)bicyclo[3.1.0]hexane?
The canonical SMILES for 3-(chloromethyl)-3-(2-chloroprop-2-enyl)bicyclo[3.1.0]hexane is C=C(Cl)CC1(CCl)CC2CC2C1.
What is the InChIKey of 3-(chloromethyl)-3-(2-chloroprop-2-enyl)bicyclo[3.1.0]hexane?
The InChIKey is CLHPWFBKUHOFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2/c1-7(12)3-10(6-11)4-8-2-9(8)5-10/h8-9H,1-6H2.
What are the key properties of 3-(chloromethyl)-3-(2-chloroprop-2-enyl)bicyclo[3.1.0]hexane?
3-(chloromethyl)-3-(2-chloroprop-2-enyl)bicyclo[3.1.0]hexane has a molecular weight of 205.13 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-3-(2-chloroprop-2-enyl)bicyclo[3.1.0]hexane is sourced from PubChem (CID 165445671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).