1-methyl-2-propylcyclobutane

C8H16 — CID 21350905

IUPAC1-methyl-2-propylcyclobutane
SMILESCCCC1CCC1C
InChIInChI=1S/C8H16/c1-3-4-8-6-5-7(8)2/h7-8H,3-6H2,1-2H3
InChIKeyLKDIVUVUVDEYPI-UHFFFAOYSA-N
MW112.22 g/mol
LogP2.83
Rot. Bonds2

About 1-methyl-2-propylcyclobutane

1-methyl-2-propylcyclobutane (PubChem CID 21350905) has the molecular formula C8H16 and a molecular weight of 112.22 g/mol. Its IUPAC name is 1-methyl-2-propylcyclobutane.

Molecular Properties

Compound Name1-methyl-2-propylcyclobutane
PubChem CID21350905
Molecular FormulaC8H16
Molecular Weight112.22 g/mol
Exact Mass112.13
IUPAC Name1-methyl-2-propylcyclobutane
SMILESCCCC1CCC1C
InChIInChI=1S/C8H16/c1-3-4-8-6-5-7(8)2/h7-8H,3-6H2,1-2H3
InChIKeyLKDIVUVUVDEYPI-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-methyl-2-propylcyclobutane?
The IUPAC name of 1-methyl-2-propylcyclobutane (CID 21350905) is 1-methyl-2-propylcyclobutane.
What is the SMILES notation for 1-methyl-2-propylcyclobutane?
The canonical SMILES for 1-methyl-2-propylcyclobutane is CCCC1CCC1C.
What is the InChIKey of 1-methyl-2-propylcyclobutane?
The InChIKey is LKDIVUVUVDEYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16/c1-3-4-8-6-5-7(8)2/h7-8H,3-6H2,1-2H3.
What are the key properties of 1-methyl-2-propylcyclobutane?
1-methyl-2-propylcyclobutane 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-methyl-2-propylcyclobutane is sourced from PubChem (CID 21350905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).