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Butane;cyclobutane;ethane;propane

C13H32 — CID 144515884

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACbutane;cyclobutane;ethane;propane
SMILESC1CCC1.CC.CCC.CCCC
InChIInChI=1S/C4H8.C4H10.C3H8.C2H6/c1-2-4-3-1;1-3-4-2;1-3-2;1-2/h1-4H2;3-4H2,1-2H3;3H2,1-2H3;1-2H3
InChIKeyJKQJDPMKQFCSGP-UHFFFAOYSA-N
MW188.40 g/mol
LogP5.81
Rot. Bonds1

About Butane;cyclobutane;ethane;propane

Butane;cyclobutane;ethane;propane (PubChem CID 144515884) has the molecular formula C13H32 and a molecular weight of 188.40 g/mol. Its IUPAC name is butane;cyclobutane;ethane;propane.

Molecular Properties

Compound NameButane;cyclobutane;ethane;propane
PubChem CID144515884
Molecular FormulaC13H32
Molecular Weight188.40 g/mol
Exact Mass188.25
IUPAC Namebutane;cyclobutane;ethane;propane
SMILESC1CCC1.CC.CCC.CCCC
InChIInChI=1S/C4H8.C4H10.C3H8.C2H6/c1-2-4-3-1;1-3-4-2;1-3-2;1-2/h1-4H2;3-4H2,1-2H3;3H2,1-2H3;1-2H3
InChIKeyJKQJDPMKQFCSGP-UHFFFAOYSA-N
XLogP5.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500188.40
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of Butane;cyclobutane;ethane;propane?
The IUPAC name of Butane;cyclobutane;ethane;propane (CID 144515884) is butane;cyclobutane;ethane;propane.
What is the SMILES notation for Butane;cyclobutane;ethane;propane?
The canonical SMILES for Butane;cyclobutane;ethane;propane is C1CCC1.CC.CCC.CCCC.
What is the InChIKey of Butane;cyclobutane;ethane;propane?
The InChIKey is JKQJDPMKQFCSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8.C4H10.C3H8.C2H6/c1-2-4-3-1;1-3-4-2;1-3-2;1-2/h1-4H2;3-4H2,1-2H3;3H2,1-2H3;1-2H3.
What are the key properties of Butane;cyclobutane;ethane;propane?
Butane;cyclobutane;ethane;propane has a molecular weight of 188.40 g/mol, XLogP of 5.81, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for Butane;cyclobutane;ethane;propane is sourced from PubChem (CID 144515884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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