bicyclo[2.2.0]hexane;tert-butylbenzene

C16H24 — CID 174393348

IUPACbicyclo[2.2.0]hexane;tert-butylbenzene
SMILESC1CC2CCC12.CC(C)(C)c1ccccc1
InChIInChI=1S/C10H14.C6H10/c1-10(2,3)9-7-5-4-6-8-9;1-2-6-4-3-5(1)6/h4-8H,1-3H3;5-6H,1-4H2
InChIKeyXBPALSGDLHIILR-UHFFFAOYSA-N
MW216.37 g/mol
LogP4.79
Rot. Bonds

About bicyclo[2.2.0]hexane;tert-butylbenzene

bicyclo[2.2.0]hexane;tert-butylbenzene (PubChem CID 174393348) has the molecular formula C16H24 and a molecular weight of 216.37 g/mol. Its IUPAC name is bicyclo[2.2.0]hexane;tert-butylbenzene.

Molecular Properties

Compound Namebicyclo[2.2.0]hexane;tert-butylbenzene
PubChem CID174393348
Molecular FormulaC16H24
Molecular Weight216.37 g/mol
Exact Mass216.19
IUPAC Namebicyclo[2.2.0]hexane;tert-butylbenzene
SMILESC1CC2CCC12.CC(C)(C)c1ccccc1
InChIInChI=1S/C10H14.C6H10/c1-10(2,3)9-7-5-4-6-8-9;1-2-6-4-3-5(1)6/h4-8H,1-3H3;5-6H,1-4H2
InChIKeyXBPALSGDLHIILR-UHFFFAOYSA-N
XLogP4.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

CID 171375456
CID 171375456
tert-butylbenzene;2,2-dimethylpropane;methane
CID 160959011
tert-butylbenzene;chloromethane;ethane
CID 91149652
tert-butylbenzene;molecular nitrogen
CID 146464751
benzene;tert-butylbenzene;bis(2,2-dimethylpropane);ethane
CID 158670454
tert-butylbenzene;methanimine
CID 174908280
tert-butylbenzene;cyclohexylbenzene
CID 158089404
tert-butylbenzene;N,N-dimethylmethanamine;ethane
CID 158234617
tert-butylbenzene;methanamine;7-thiabicyclo[4.1.0]heptane
CID 174813455
tert-butylbenzene;1,3,5-trimethylbenzene
CID 173429948
tris(tert-butylbenzene);ethane;toluene
CID 158234120
1,1-difluoroethylbenzene
CID 10942535

Frequently Asked Questions

What is the IUPAC name of bicyclo[2.2.0]hexane;tert-butylbenzene?
The IUPAC name of bicyclo[2.2.0]hexane;tert-butylbenzene (CID 174393348) is bicyclo[2.2.0]hexane;tert-butylbenzene.
What is the SMILES notation for bicyclo[2.2.0]hexane;tert-butylbenzene?
The canonical SMILES for bicyclo[2.2.0]hexane;tert-butylbenzene is C1CC2CCC12.CC(C)(C)c1ccccc1.
What is the InChIKey of bicyclo[2.2.0]hexane;tert-butylbenzene?
The InChIKey is XBPALSGDLHIILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14.C6H10/c1-10(2,3)9-7-5-4-6-8-9;1-2-6-4-3-5(1)6/h4-8H,1-3H3;5-6H,1-4H2.
What are the key properties of bicyclo[2.2.0]hexane;tert-butylbenzene?
bicyclo[2.2.0]hexane;tert-butylbenzene has a molecular weight of 216.37 g/mol, XLogP of 4.79, 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;tert-butylbenzene is sourced from PubChem (CID 174393348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).