3,6-dimethyltricyclo[2.2.0.01,3]hexane

C8H12 — CID 123704244

IUPAC3,6-dimethyltricyclo[2.2.0.01,3]hexane
SMILESCC1CC2C3(C)CC123
InChIInChI=1S/C8H12/c1-5-3-6-7(2)4-8(5,6)7/h5-6H,3-4H2,1-2H3
InChIKeySJDUFGRJZXTLBO-UHFFFAOYSA-N
MW108.18 g/mol
LogP2.05
Rot. Bonds

About 3,6-dimethyltricyclo[2.2.0.01,3]hexane

3,6-dimethyltricyclo[2.2.0.01,3]hexane (PubChem CID 123704244) has the molecular formula C8H12 and a molecular weight of 108.18 g/mol. Its IUPAC name is 3,6-dimethyltricyclo[2.2.0.01,3]hexane.

Molecular Properties

Compound Name3,6-dimethyltricyclo[2.2.0.01,3]hexane
PubChem CID123704244
Molecular FormulaC8H12
Molecular Weight108.18 g/mol
Exact Mass108.09
IUPAC Name3,6-dimethyltricyclo[2.2.0.01,3]hexane
SMILESCC1CC2C3(C)CC123
InChIInChI=1S/C8H12/c1-5-3-6-7(2)4-8(5,6)7/h5-6H,3-4H2,1-2H3
InChIKeySJDUFGRJZXTLBO-UHFFFAOYSA-N
XLogP2.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.18
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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1,2,2,3,4,6-hexamethylbicyclo[2.2.0]hexane
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(1S,2S,4R)-2-(hydroxymethyl)-1,4-dimethylcyclopentan-1-ol
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1,2-dimethyl-3-(1,2,2-trimethylcyclopropyl)cyclobutane
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2,3,4,5-tetramethyltricyclo[2.2.1.11,3]octane
CID 123956231
(2R)-1-fluoro-1,2-dimethylcyclopropane
CID 147738297
CID 162401464
CID 162401464
azane;1,1,2-trimethylcyclopropane;hydrochloride
CID 174915163
1,4,7-trimethyltricyclo[3.3.1.02,7]nonane
CID 123705206
3,4,6,7-tetramethyltricyclo[4.2.1.01,4]nonane
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1,3,4,4,5-pentamethylpiperidine
CID 18740724

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyltricyclo[2.2.0.01,3]hexane?
The IUPAC name of 3,6-dimethyltricyclo[2.2.0.01,3]hexane (CID 123704244) is 3,6-dimethyltricyclo[2.2.0.01,3]hexane.
What is the SMILES notation for 3,6-dimethyltricyclo[2.2.0.01,3]hexane?
The canonical SMILES for 3,6-dimethyltricyclo[2.2.0.01,3]hexane is CC1CC2C3(C)CC123.
What is the InChIKey of 3,6-dimethyltricyclo[2.2.0.01,3]hexane?
The InChIKey is SJDUFGRJZXTLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12/c1-5-3-6-7(2)4-8(5,6)7/h5-6H,3-4H2,1-2H3.
What are the key properties of 3,6-dimethyltricyclo[2.2.0.01,3]hexane?
3,6-dimethyltricyclo[2.2.0.01,3]hexane has a molecular weight of 108.18 g/mol, XLogP of 2.05, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyltricyclo[2.2.0.01,3]hexane is sourced from PubChem (CID 123704244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).