but-1-ene;ethane;ethene;propane

C13H32 — CID 144521241

IUPACbut-1-ene;ethane;ethene;propane
SMILESC=C.C=CCC.CC.CC.CCC
InChIInChI=1S/C4H8.C3H8.2C2H6.C2H4/c1-3-4-2;1-3-2;3*1-2/h3H,1,4H2,2H3;3H2,1-2H3;2*1-2H3;1-2H2
InChIKeyBHLAZXWDXMFMSG-UHFFFAOYSA-N
MW188.40 g/mol
LogP5.85
Rot. Bonds1

About but-1-ene;ethane;ethene;propane

but-1-ene;ethane;ethene;propane (PubChem CID 144521241) has the molecular formula C13H32 and a molecular weight of 188.40 g/mol. Its IUPAC name is but-1-ene;ethane;ethene;propane.

Molecular Properties

Compound Namebut-1-ene;ethane;ethene;propane
PubChem CID144521241
Molecular FormulaC13H32
Molecular Weight188.40 g/mol
Exact Mass188.25
IUPAC Namebut-1-ene;ethane;ethene;propane
SMILESC=C.C=CCC.CC.CC.CCC
InChIInChI=1S/C4H8.C3H8.2C2H6.C2H4/c1-3-4-2;1-3-2;3*1-2/h3H,1,4H2,2H3;3H2,1-2H3;2*1-2H3;1-2H2
InChIKeyBHLAZXWDXMFMSG-UHFFFAOYSA-N
XLogP5.85
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 ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-Butene
CID 7844
Butene, all isomers
CID 6435908
Allyltributylstannane
CID 90628
1-Propene, pentamer
CID 203799
Stannane, tributyl-(1Z)-1-propen-1-yl-
CID 5315049
(Z)-But-1-enyldiethylaluminium
CID 16684063
Aluminum, (1E)-1-butenyldiethyl-
CID 57350978
But-1-ene--ethene (1/1)
CID 161478
Ethene--hex-1-ene (1/1)
CID 168324
Ethene propene 1-butene
CID 168434
But-1-ene--prop-1-ene (1/1)
CID 168862
But-1-ene;ethene;hex-1-ene
CID 6454028

Frequently Asked Questions

What is the IUPAC name of but-1-ene;ethane;ethene;propane?
The IUPAC name of but-1-ene;ethane;ethene;propane (CID 144521241) is but-1-ene;ethane;ethene;propane.
What is the SMILES notation for but-1-ene;ethane;ethene;propane?
The canonical SMILES for but-1-ene;ethane;ethene;propane is C=C.C=CCC.CC.CC.CCC.
What is the InChIKey of but-1-ene;ethane;ethene;propane?
The InChIKey is BHLAZXWDXMFMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8.C3H8.2C2H6.C2H4/c1-3-4-2;1-3-2;3*1-2/h3H,1,4H2,2H3;3H2,1-2H3;2*1-2H3;1-2H2.
What are the key properties of but-1-ene;ethane;ethene;propane?
but-1-ene;ethane;ethene;propane has a molecular weight of 188.40 g/mol, XLogP of 5.85, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-ene;ethane;ethene;propane is sourced from PubChem (CID 144521241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).