1-ethyl-3-methylcyclobutane

C7H14 — CID 18730046

IUPAC1-ethyl-3-methylcyclobutane
SMILESCCC1CC(C)C1
InChIInChI=1S/C7H14/c1-3-7-4-6(2)5-7/h6-7H,3-5H2,1-2H3
InChIKeyLVXHUQABWLTQND-UHFFFAOYSA-N
MW98.19 g/mol
LogP2.44
Rot. Bonds1

About 1-ethyl-3-methylcyclobutane

1-ethyl-3-methylcyclobutane (PubChem CID 18730046) has the molecular formula C7H14 and a molecular weight of 98.19 g/mol. Its IUPAC name is 1-ethyl-3-methylcyclobutane.

Molecular Properties

Compound Name1-ethyl-3-methylcyclobutane
PubChem CID18730046
Molecular FormulaC7H14
Molecular Weight98.19 g/mol
Exact Mass98.11
IUPAC Name1-ethyl-3-methylcyclobutane
SMILESCCC1CC(C)C1
InChIInChI=1S/C7H14/c1-3-7-4-6(2)5-7/h6-7H,3-5H2,1-2H3
InChIKeyLVXHUQABWLTQND-UHFFFAOYSA-N
XLogP2.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.19
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methylcyclobutane?
The IUPAC name of 1-ethyl-3-methylcyclobutane (CID 18730046) is 1-ethyl-3-methylcyclobutane.
What is the SMILES notation for 1-ethyl-3-methylcyclobutane?
The canonical SMILES for 1-ethyl-3-methylcyclobutane is CCC1CC(C)C1.
What is the InChIKey of 1-ethyl-3-methylcyclobutane?
The InChIKey is LVXHUQABWLTQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14/c1-3-7-4-6(2)5-7/h6-7H,3-5H2,1-2H3.
What are the key properties of 1-ethyl-3-methylcyclobutane?
1-ethyl-3-methylcyclobutane has a molecular weight of 98.19 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methylcyclobutane is sourced from PubChem (CID 18730046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).