bis(bicyclo[3.1.0]hexane);trihydrochloride

C12H23Cl3 — CID 69185190

IUPACbis(bicyclo[3.1.0]hexane);trihydrochloride
SMILESC1CC2CC2C1.C1CC2CC2C1.Cl.Cl.Cl
InChIInChI=1S/2C6H10.3ClH/c2*1-2-5-4-6(5)3-1;;;/h2*5-6H,1-4H2;3*1H
InChIKeySZIYEXQKYLHUMB-UHFFFAOYSA-N
MW273.68 g/mol
LogP4.88
Rot. Bonds

About bis(bicyclo[3.1.0]hexane);trihydrochloride

bis(bicyclo[3.1.0]hexane);trihydrochloride (PubChem CID 69185190) has the molecular formula C12H23Cl3 and a molecular weight of 273.68 g/mol. Its IUPAC name is bis(bicyclo[3.1.0]hexane);trihydrochloride.

Molecular Properties

Compound Namebis(bicyclo[3.1.0]hexane);trihydrochloride
PubChem CID69185190
Molecular FormulaC12H23Cl3
Molecular Weight273.68 g/mol
Exact Mass272.09
IUPAC Namebis(bicyclo[3.1.0]hexane);trihydrochloride
SMILESC1CC2CC2C1.C1CC2CC2C1.Cl.Cl.Cl
InChIInChI=1S/2C6H10.3ClH/c2*1-2-5-4-6(5)3-1;;;/h2*5-6H,1-4H2;3*1H
InChIKeySZIYEXQKYLHUMB-UHFFFAOYSA-N
XLogP4.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.68
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

bicyclo[3.1.0]hexane;dihydrochloride
CID 141306080
tricyclo[4.3.1.12,5]undecane
CID 13070377
4-cyclobutylbicyclo[6.1.0]nonane
CID 123166023
2,3,3a,4,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[f]azulene
CID 123828031
(1R,6S)-bicyclo[4.1.0]heptane
CID 638054
pentacyclo[11.9.0.03,11.05,9.015,21]docosane
CID 132819456
bicyclo[21.1.0]tetracosane
CID 123789596
bicyclo[11.1.0]tetradecane
CID 90981498
CID 159099716
CID 159099716
(1R,3R,6R,8R)-tricyclo[4.4.0.03,8]decane
CID 91618084
(2R,6R)-tricyclo[4.2.1.12,5]decane
CID 134081586
tricyclo[11.3.0.05,9]hexadecane
CID 154595560

Frequently Asked Questions

What is the IUPAC name of bis(bicyclo[3.1.0]hexane);trihydrochloride?
The IUPAC name of bis(bicyclo[3.1.0]hexane);trihydrochloride (CID 69185190) is bis(bicyclo[3.1.0]hexane);trihydrochloride.
What is the SMILES notation for bis(bicyclo[3.1.0]hexane);trihydrochloride?
The canonical SMILES for bis(bicyclo[3.1.0]hexane);trihydrochloride is C1CC2CC2C1.C1CC2CC2C1.Cl.Cl.Cl.
What is the InChIKey of bis(bicyclo[3.1.0]hexane);trihydrochloride?
The InChIKey is SZIYEXQKYLHUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H10.3ClH/c2*1-2-5-4-6(5)3-1;;;/h2*5-6H,1-4H2;3*1H.
What are the key properties of bis(bicyclo[3.1.0]hexane);trihydrochloride?
bis(bicyclo[3.1.0]hexane);trihydrochloride has a molecular weight of 273.68 g/mol, XLogP of 4.88, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(bicyclo[3.1.0]hexane);trihydrochloride is sourced from PubChem (CID 69185190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).