bicyclo[3.1.0]hexane;dihydrochloride

C6H12Cl2 — CID 141306080

IUPACbicyclo[3.1.0]hexane;dihydrochloride
SMILESC1CC2CC2C1.Cl.Cl
InChIInChI=1S/C6H10.2ClH/c1-2-5-4-6(5)3-1;;/h5-6H,1-4H2;2*1H
InChIKeyGHZQXRFXWVNAHS-UHFFFAOYSA-N
MW155.07 g/mol
LogP2.65
Rot. Bonds

About bicyclo[3.1.0]hexane;dihydrochloride

bicyclo[3.1.0]hexane;dihydrochloride (PubChem CID 141306080) has the molecular formula C6H12Cl2 and a molecular weight of 155.07 g/mol. Its IUPAC name is bicyclo[3.1.0]hexane;dihydrochloride.

Molecular Properties

Compound Namebicyclo[3.1.0]hexane;dihydrochloride
PubChem CID141306080
Molecular FormulaC6H12Cl2
Molecular Weight155.07 g/mol
Exact Mass154.03
IUPAC Namebicyclo[3.1.0]hexane;dihydrochloride
SMILESC1CC2CC2C1.Cl.Cl
InChIInChI=1S/C6H10.2ClH/c1-2-5-4-6(5)3-1;;/h5-6H,1-4H2;2*1H
InChIKeyGHZQXRFXWVNAHS-UHFFFAOYSA-N
XLogP2.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.07
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

bis(bicyclo[3.1.0]hexane);trihydrochloride
CID 69185190
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 bicyclo[3.1.0]hexane;dihydrochloride?
The IUPAC name of bicyclo[3.1.0]hexane;dihydrochloride (CID 141306080) is bicyclo[3.1.0]hexane;dihydrochloride.
What is the SMILES notation for bicyclo[3.1.0]hexane;dihydrochloride?
The canonical SMILES for bicyclo[3.1.0]hexane;dihydrochloride is C1CC2CC2C1.Cl.Cl.
What is the InChIKey of bicyclo[3.1.0]hexane;dihydrochloride?
The InChIKey is GHZQXRFXWVNAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10.2ClH/c1-2-5-4-6(5)3-1;;/h5-6H,1-4H2;2*1H.
What are the key properties of bicyclo[3.1.0]hexane;dihydrochloride?
bicyclo[3.1.0]hexane;dihydrochloride has a molecular weight of 155.07 g/mol, XLogP of 2.65, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[3.1.0]hexane;dihydrochloride is sourced from PubChem (CID 141306080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).