1,4-dimethyltricyclo[3.1.0.02,4]hexane

C8H12 — CID 123620036

IUPAC1,4-dimethyltricyclo[3.1.0.02,4]hexane
SMILESCC12CC1C1(C)CC21
InChIInChI=1S/C8H12/c1-7-3-5(7)8(2)4-6(7)8/h5-6H,3-4H2,1-2H3
InChIKeyIZGXZNVUNXJVGY-UHFFFAOYSA-N
MW108.18 g/mol
LogP2.05
Rot. Bonds

About 1,4-dimethyltricyclo[3.1.0.02,4]hexane

1,4-dimethyltricyclo[3.1.0.02,4]hexane (PubChem CID 123620036) has the molecular formula C8H12 and a molecular weight of 108.18 g/mol. Its IUPAC name is 1,4-dimethyltricyclo[3.1.0.02,4]hexane.

Molecular Properties

Compound Name1,4-dimethyltricyclo[3.1.0.02,4]hexane
PubChem CID123620036
Molecular FormulaC8H12
Molecular Weight108.18 g/mol
Exact Mass108.09
IUPAC Name1,4-dimethyltricyclo[3.1.0.02,4]hexane
SMILESCC12CC1C1(C)CC21
InChIInChI=1S/C8H12/c1-7-3-5(7)8(2)4-6(7)8/h5-6H,3-4H2,1-2H3
InChIKeyIZGXZNVUNXJVGY-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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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyltricyclo[3.1.0.02,4]hexane?
The IUPAC name of 1,4-dimethyltricyclo[3.1.0.02,4]hexane (CID 123620036) is 1,4-dimethyltricyclo[3.1.0.02,4]hexane.
What is the SMILES notation for 1,4-dimethyltricyclo[3.1.0.02,4]hexane?
The canonical SMILES for 1,4-dimethyltricyclo[3.1.0.02,4]hexane is CC12CC1C1(C)CC21.
What is the InChIKey of 1,4-dimethyltricyclo[3.1.0.02,4]hexane?
The InChIKey is IZGXZNVUNXJVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12/c1-7-3-5(7)8(2)4-6(7)8/h5-6H,3-4H2,1-2H3.
What are the key properties of 1,4-dimethyltricyclo[3.1.0.02,4]hexane?
1,4-dimethyltricyclo[3.1.0.02,4]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 1,4-dimethyltricyclo[3.1.0.02,4]hexane is sourced from PubChem (CID 123620036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).