bicyclo[2.2.0]hexane

C18H30 — CID 158697132

IUPACbicyclo[2.2.0]hexane
SMILESC1CC2CCC12.C1CC2CCC12.C1CC2CCC12
InChIInChI=1S/3C6H10/c3*1-2-6-4-3-5(1)6/h3*5-6H,1-4H2
InChIKeyIHBXAZMRKRSNPM-UHFFFAOYSA-N
MW246.44 g/mol
LogP5.42
Rot. Bonds

About bicyclo[2.2.0]hexane

bicyclo[2.2.0]hexane (PubChem CID 158697132) has the molecular formula C18H30 and a molecular weight of 246.44 g/mol. Its IUPAC name is bicyclo[2.2.0]hexane.

Molecular Properties

Compound Namebicyclo[2.2.0]hexane
PubChem CID158697132
Molecular FormulaC18H30
Molecular Weight246.44 g/mol
Exact Mass246.23
IUPAC Namebicyclo[2.2.0]hexane
SMILESC1CC2CCC12.C1CC2CCC12.C1CC2CCC12
InChIInChI=1S/3C6H10/c3*1-2-6-4-3-5(1)6/h3*5-6H,1-4H2
InChIKeyIHBXAZMRKRSNPM-UHFFFAOYSA-N
XLogP5.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.44
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(1R,5R)-bicyclo[3.2.0]heptane
CID 123536914
1-cyclohexyl-4-[4-[4-[4-[4-(4-cyclohexylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]cyclohexyl]cyclohexane
CID 123286414
tricyclo[11.9.0.05,8]docosane
CID 123241919
pentacyclo[23.18.0.05,21.08,16.029,41]tritetracontane
CID 123459742
hexacyclo[23.22.0.05,20.08,15.028,44.032,40]heptatetracontane
CID 123895586
tricyclo[11.3.0.05,9]hexadecane
CID 154595560
tetracyclo[6.2.2.23,6.02,7]tetradecane
CID 14196498
(1R,3R,6R,8R)-tricyclo[4.4.0.03,8]decane
CID 91618084
(2R,6R)-tricyclo[4.2.1.12,5]decane
CID 134081586
bicyclo[2.2.0]hexane;isocyanic acid
CID 87332966
bicyclo[2.2.0]hexane;ethanol
CID 66985462
4-cyclobutylbicyclo[6.1.0]nonane
CID 123166023

Frequently Asked Questions

What is the IUPAC name of bicyclo[2.2.0]hexane?
The IUPAC name of bicyclo[2.2.0]hexane (CID 158697132) is bicyclo[2.2.0]hexane.
What is the SMILES notation for bicyclo[2.2.0]hexane?
The canonical SMILES for bicyclo[2.2.0]hexane is C1CC2CCC12.C1CC2CCC12.C1CC2CCC12.
What is the InChIKey of bicyclo[2.2.0]hexane?
The InChIKey is IHBXAZMRKRSNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H10/c3*1-2-6-4-3-5(1)6/h3*5-6H,1-4H2.
What are the key properties of bicyclo[2.2.0]hexane?
bicyclo[2.2.0]hexane has a molecular weight of 246.44 g/mol, XLogP of 5.42, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.0]hexane is sourced from PubChem (CID 158697132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).