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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Related Compounds

buta-1,2-diene;molecular nitrogen
CID 141198155
bis(buta-1,2-diene);molecular iodine;propa-1,2-diene;triiodide;hydroiodide
CID 161242194
lithium;buta-1,2-diene;hydrogen sulfite
CID 175355103
buta-1,2-diene;ethane;methane;2-methylbut-1-ene;2-methylpropane;propane
CID 143721190
ethene;penta-2,3-diene
CID 174357342
ethane;tetrakis(prop-1-ene)
CID 90918926
ethane;bis(prop-1-ene)
CID 91426438
hexa-1,2,3,4-tetraene
CID 11815814
(4E)-4-methylhexa-1,2,4-triene
CID 90999929
ethane;methane;bis(prop-1-ene)
CID 159459488
penta-1,2,3,4-tetraene;prop-1-ene
CID 91432943
dimethyl(propa-1,2-dienyl)borane
CID 23393411

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).