methane;methylcyclobutane

C6H14 — CID 144534016

IUPACmethane;methylcyclobutane
SMILESC.CC1CCC1
InChIInChI=1S/C5H10.CH4/c1-5-3-2-4-5;/h5H,2-4H2,1H3;1H4
InChIKeyZPVVNJHXROVEMG-UHFFFAOYSA-N
MW86.18 g/mol
LogP2.44
Rot. Bonds

About methane;methylcyclobutane

methane;methylcyclobutane (PubChem CID 144534016) has the molecular formula C6H14 and a molecular weight of 86.18 g/mol. Its IUPAC name is methane;methylcyclobutane.

Molecular Properties

Compound Namemethane;methylcyclobutane
PubChem CID144534016
Molecular FormulaC6H14
Molecular Weight86.18 g/mol
Exact Mass86.11
IUPAC Namemethane;methylcyclobutane
SMILESC.CC1CCC1
InChIInChI=1S/C5H10.CH4/c1-5-3-2-4-5;/h5H,2-4H2,1H3;1H4
InChIKeyZPVVNJHXROVEMG-UHFFFAOYSA-N
XLogP2.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.18
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of methane;methylcyclobutane?
The IUPAC name of methane;methylcyclobutane (CID 144534016) is methane;methylcyclobutane.
What is the SMILES notation for methane;methylcyclobutane?
The canonical SMILES for methane;methylcyclobutane is C.CC1CCC1.
What is the InChIKey of methane;methylcyclobutane?
The InChIKey is ZPVVNJHXROVEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10.CH4/c1-5-3-2-4-5;/h5H,2-4H2,1H3;1H4.
What are the key properties of methane;methylcyclobutane?
methane;methylcyclobutane has a molecular weight of 86.18 g/mol, XLogP of 2.44, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;methylcyclobutane is sourced from PubChem (CID 144534016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).