1,2,3,4-tetramethyltricyclo[1.1.0.02,4]butane

C8H12 — CID 12506571

IUPAC1,2,3,4-tetramethyltricyclo[1.1.0.02,4]butane
SMILESCC12C3(C)C1(C)C23C
InChIInChI=1S/C8H12/c1-5-6(2)7(5,3)8(5,6)4/h1-4H3
InChIKeyQEKMCMMAAKPDSE-UHFFFAOYSA-N
MW108.18 g/mol
LogP2.05
Rot. Bonds

About 1,2,3,4-tetramethyltricyclo[1.1.0.02,4]butane

1,2,3,4-tetramethyltricyclo[1.1.0.02,4]butane (PubChem CID 12506571) has the molecular formula C8H12 and a molecular weight of 108.18 g/mol. Its IUPAC name is 1,2,3,4-tetramethyltricyclo[1.1.0.02,4]butane.

Molecular Properties

Compound Name1,2,3,4-tetramethyltricyclo[1.1.0.02,4]butane
PubChem CID12506571
Molecular FormulaC8H12
Molecular Weight108.18 g/mol
Exact Mass108.09
IUPAC Name1,2,3,4-tetramethyltricyclo[1.1.0.02,4]butane
SMILESCC12C3(C)C1(C)C23C
InChIInChI=1S/C8H12/c1-5-6(2)7(5,3)8(5,6)4/h1-4H3
InChIKeyQEKMCMMAAKPDSE-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 1,2,3,4-tetramethyltricyclo[1.1.0.02,4]butane?
The IUPAC name of 1,2,3,4-tetramethyltricyclo[1.1.0.02,4]butane (CID 12506571) is 1,2,3,4-tetramethyltricyclo[1.1.0.02,4]butane.
What is the SMILES notation for 1,2,3,4-tetramethyltricyclo[1.1.0.02,4]butane?
The canonical SMILES for 1,2,3,4-tetramethyltricyclo[1.1.0.02,4]butane is CC12C3(C)C1(C)C23C.
What is the InChIKey of 1,2,3,4-tetramethyltricyclo[1.1.0.02,4]butane?
The InChIKey is QEKMCMMAAKPDSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12/c1-5-6(2)7(5,3)8(5,6)4/h1-4H3.
What are the key properties of 1,2,3,4-tetramethyltricyclo[1.1.0.02,4]butane?
1,2,3,4-tetramethyltricyclo[1.1.0.02,4]butane 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 1,2,3,4-tetramethyltricyclo[1.1.0.02,4]butane is sourced from PubChem (CID 12506571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).