1,2,3,4-tetraethylcyclobutane

C12H24 — CID 21051706

IUPAC1,2,3,4-tetraethylcyclobutane
SMILESCCC1C(CC)C(CC)C1CC
InChIInChI=1S/C12H24/c1-5-9-10(6-2)12(8-4)11(9)7-3/h9-12H,5-8H2,1-4H3
InChIKeyMZWFDKFTYZPANS-UHFFFAOYSA-N
MW168.32 g/mol
LogP4.10
Rot. Bonds4

About 1,2,3,4-tetraethylcyclobutane

1,2,3,4-tetraethylcyclobutane (PubChem CID 21051706) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is 1,2,3,4-tetraethylcyclobutane.

Molecular Properties

Compound Name1,2,3,4-tetraethylcyclobutane
PubChem CID21051706
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Name1,2,3,4-tetraethylcyclobutane
SMILESCCC1C(CC)C(CC)C1CC
InChIInChI=1S/C12H24/c1-5-9-10(6-2)12(8-4)11(9)7-3/h9-12H,5-8H2,1-4H3
InChIKeyMZWFDKFTYZPANS-UHFFFAOYSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.32
LogP ≤ 54.10
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-tetraethylcyclobutane?
The IUPAC name of 1,2,3,4-tetraethylcyclobutane (CID 21051706) is 1,2,3,4-tetraethylcyclobutane.
What is the SMILES notation for 1,2,3,4-tetraethylcyclobutane?
The canonical SMILES for 1,2,3,4-tetraethylcyclobutane is CCC1C(CC)C(CC)C1CC.
What is the InChIKey of 1,2,3,4-tetraethylcyclobutane?
The InChIKey is MZWFDKFTYZPANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24/c1-5-9-10(6-2)12(8-4)11(9)7-3/h9-12H,5-8H2,1-4H3.
What are the key properties of 1,2,3,4-tetraethylcyclobutane?
1,2,3,4-tetraethylcyclobutane has a molecular weight of 168.32 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetraethylcyclobutane is sourced from PubChem (CID 21051706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).