buta-1,2-diene;ethane

C6H12 — CID 143712294

IUPACbuta-1,2-diene;ethane
SMILESC=C=CC.CC
InChIInChI=1S/C4H6.C2H6/c1-3-4-2;1-2/h4H,1H2,2H3;1-2H3
InChIKeyMWBXRYUMTXIJNU-UHFFFAOYSA-N
MW84.16 g/mol
LogP2.37
Rot. Bonds

About buta-1,2-diene;ethane

buta-1,2-diene;ethane (PubChem CID 143712294) has the molecular formula C6H12 and a molecular weight of 84.16 g/mol. Its IUPAC name is buta-1,2-diene;ethane.

Molecular Properties

Compound Namebuta-1,2-diene;ethane
PubChem CID143712294
Molecular FormulaC6H12
Molecular Weight84.16 g/mol
Exact Mass84.09
IUPAC Namebuta-1,2-diene;ethane
SMILESC=C=CC.CC
InChIInChI=1S/C4H6.C2H6/c1-3-4-2;1-2/h4H,1H2,2H3;1-2H3
InChIKeyMWBXRYUMTXIJNU-UHFFFAOYSA-N
XLogP2.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50084.16
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of buta-1,2-diene;ethane?
The IUPAC name of buta-1,2-diene;ethane (CID 143712294) is buta-1,2-diene;ethane.
What is the SMILES notation for buta-1,2-diene;ethane?
The canonical SMILES for buta-1,2-diene;ethane is C=C=CC.CC.
What is the InChIKey of buta-1,2-diene;ethane?
The InChIKey is MWBXRYUMTXIJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6.C2H6/c1-3-4-2;1-2/h4H,1H2,2H3;1-2H3.
What are the key properties of buta-1,2-diene;ethane?
buta-1,2-diene;ethane has a molecular weight of 84.16 g/mol, XLogP of 2.37, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for buta-1,2-diene;ethane is sourced from PubChem (CID 143712294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).