1,2,3,4-tetramethylcyclobutane

C8H16 — CID 544590

IUPAC1,2,3,4-tetramethylcyclobutane
SMILESCC1C(C)C(C)C1C
InChIInChI=1S/C8H16/c1-5-6(2)8(4)7(5)3/h5-8H,1-4H3
InChIKeyDOMPENMCTWZXEE-UHFFFAOYSA-N
MW112.22 g/mol
LogP2.54
Rot. Bonds

About 1,2,3,4-tetramethylcyclobutane

1,2,3,4-tetramethylcyclobutane (PubChem CID 544590) has the molecular formula C8H16 and a molecular weight of 112.22 g/mol. Its IUPAC name is 1,2,3,4-tetramethylcyclobutane.

Molecular Properties

Compound Name1,2,3,4-tetramethylcyclobutane
PubChem CID544590
Molecular FormulaC8H16
Molecular Weight112.22 g/mol
Exact Mass112.13
IUPAC Name1,2,3,4-tetramethylcyclobutane
SMILESCC1C(C)C(C)C1C
InChIInChI=1S/C8H16/c1-5-6(2)8(4)7(5)3/h5-8H,1-4H3
InChIKeyDOMPENMCTWZXEE-UHFFFAOYSA-N
XLogP2.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.22
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,4-Dimethylhexane
CID 11511
3,4-Dimethylheptane
CID 13534
2,3,4-Trimethylpentane
CID 11269
2,3-Dimethylhexane
CID 11447
3,4-Dimethylhexane
CID 11412
3-Ethyl-2-methylpentane
CID 11863
2,3,4-Trimethylhexane
CID 13533
3-Ethylhexane
CID 12096
2,3,5-Trimethylhexane
CID 14045
1,2-Diethylcyclobutane
CID 43552
Isopropylcyclobutane
CID 136673
Heptane, 4-(1-methylethyl)-
CID 142981

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetramethylcyclobutane?
The IUPAC name of 1,2,3,4-tetramethylcyclobutane (CID 544590) is 1,2,3,4-tetramethylcyclobutane.
What is the SMILES notation for 1,2,3,4-tetramethylcyclobutane?
The canonical SMILES for 1,2,3,4-tetramethylcyclobutane is CC1C(C)C(C)C1C.
What is the InChIKey of 1,2,3,4-tetramethylcyclobutane?
The InChIKey is DOMPENMCTWZXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16/c1-5-6(2)8(4)7(5)3/h5-8H,1-4H3.
What are the key properties of 1,2,3,4-tetramethylcyclobutane?
1,2,3,4-tetramethylcyclobutane has a molecular weight of 112.22 g/mol, XLogP of 2.54, 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-tetramethylcyclobutane is sourced from PubChem (CID 544590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).