1,3-diethylcyclobutane

C8H16 — CID 18710462

IUPAC1,3-diethylcyclobutane
SMILESCCC1CC(CC)C1
InChIInChI=1S/C8H16/c1-3-7-5-8(4-2)6-7/h7-8H,3-6H2,1-2H3
InChIKeyPXTDDNSMRQBQJL-UHFFFAOYSA-N
MW112.22 g/mol
LogP2.83
Rot. Bonds2

About 1,3-diethylcyclobutane

1,3-diethylcyclobutane (PubChem CID 18710462) has the molecular formula C8H16 and a molecular weight of 112.22 g/mol. Its IUPAC name is 1,3-diethylcyclobutane.

Molecular Properties

Compound Name1,3-diethylcyclobutane
PubChem CID18710462
Molecular FormulaC8H16
Molecular Weight112.22 g/mol
Exact Mass112.13
IUPAC Name1,3-diethylcyclobutane
SMILESCCC1CC(CC)C1
InChIInChI=1S/C8H16/c1-3-7-5-8(4-2)6-7/h7-8H,3-6H2,1-2H3
InChIKeyPXTDDNSMRQBQJL-UHFFFAOYSA-N
XLogP2.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.22
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,3-diethylcyclobutane?
The IUPAC name of 1,3-diethylcyclobutane (CID 18710462) is 1,3-diethylcyclobutane.
What is the SMILES notation for 1,3-diethylcyclobutane?
The canonical SMILES for 1,3-diethylcyclobutane is CCC1CC(CC)C1.
What is the InChIKey of 1,3-diethylcyclobutane?
The InChIKey is PXTDDNSMRQBQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16/c1-3-7-5-8(4-2)6-7/h7-8H,3-6H2,1-2H3.
What are the key properties of 1,3-diethylcyclobutane?
1,3-diethylcyclobutane has a molecular weight of 112.22 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethylcyclobutane is sourced from PubChem (CID 18710462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).