1,2,2,3,4,6-hexamethylbicyclo[2.2.0]hexane

C12H22 — CID 91324406

IUPAC1,2,2,3,4,6-hexamethylbicyclo[2.2.0]hexane
SMILESCC1C(C)(C)C2(C)C(C)CC12C
InChIInChI=1S/C12H22/c1-8-7-11(5)9(2)10(3,4)12(8,11)6/h8-9H,7H2,1-6H3
InChIKeyJZLSOJHODICWPV-UHFFFAOYSA-N
MW166.31 g/mol
LogP3.71
Rot. Bonds

About 1,2,2,3,4,6-hexamethylbicyclo[2.2.0]hexane

1,2,2,3,4,6-hexamethylbicyclo[2.2.0]hexane (PubChem CID 91324406) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 1,2,2,3,4,6-hexamethylbicyclo[2.2.0]hexane.

Molecular Properties

Compound Name1,2,2,3,4,6-hexamethylbicyclo[2.2.0]hexane
PubChem CID91324406
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name1,2,2,3,4,6-hexamethylbicyclo[2.2.0]hexane
SMILESCC1C(C)(C)C2(C)C(C)CC12C
InChIInChI=1S/C12H22/c1-8-7-11(5)9(2)10(3,4)12(8,11)6/h8-9H,7H2,1-6H3
InChIKeyJZLSOJHODICWPV-UHFFFAOYSA-N
XLogP3.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(2S)-1,1,2-trimethylcyclopropane
CID 25022262
2,3,4,5,6,7-hexamethyltricyclo[3.2.1.03,6]octane
CID 123913198
4,5,6,8-tetramethyltetracyclo[3.3.0.01,3.02,6]octane
CID 123295375
CID 162401464
CID 162401464
(2R)-1-fluoro-1,2-dimethylcyclopropane
CID 147738297
azane;1,1,2-trimethylcyclopropane;hydrochloride
CID 174915163
2,3,4,5-tetramethyltricyclo[2.2.1.11,3]octane
CID 123956231
1,2,2,3-tetramethylcyclobutan-1-ol
CID 175148355
2,2,3,4-tetramethyl-1-methylsulfanylbicyclo[2.1.0]pentane
CID 91521946
1,2,4,4,6,7,7-heptamethylbicyclo[3.2.1]octane
CID 123829130
4-ethyl-1,2,3,6-tetramethyl-2-propylbicyclo[2.2.0]hexane
CID 123474375
4-[(1R,5S,6S)-1,2,2,5,6-pentamethyl-3-bicyclo[3.1.0]hexanyl]pentan-1-ol
CID 167163788

Frequently Asked Questions

What is the IUPAC name of 1,2,2,3,4,6-hexamethylbicyclo[2.2.0]hexane?
The IUPAC name of 1,2,2,3,4,6-hexamethylbicyclo[2.2.0]hexane (CID 91324406) is 1,2,2,3,4,6-hexamethylbicyclo[2.2.0]hexane.
What is the SMILES notation for 1,2,2,3,4,6-hexamethylbicyclo[2.2.0]hexane?
The canonical SMILES for 1,2,2,3,4,6-hexamethylbicyclo[2.2.0]hexane is CC1C(C)(C)C2(C)C(C)CC12C.
What is the InChIKey of 1,2,2,3,4,6-hexamethylbicyclo[2.2.0]hexane?
The InChIKey is JZLSOJHODICWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-8-7-11(5)9(2)10(3,4)12(8,11)6/h8-9H,7H2,1-6H3.
What are the key properties of 1,2,2,3,4,6-hexamethylbicyclo[2.2.0]hexane?
1,2,2,3,4,6-hexamethylbicyclo[2.2.0]hexane has a molecular weight of 166.31 g/mol, XLogP of 3.71, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,3,4,6-hexamethylbicyclo[2.2.0]hexane is sourced from PubChem (CID 91324406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).