buta-1,3-diene;but-1-ene;prop-1-ene

C11H20 — CID 161064943

IUPACbuta-1,3-diene;but-1-ene;prop-1-ene
SMILESC=CC.C=CC=C.C=CCC
InChIInChI=1S/C4H8.C4H6.C3H6/c2*1-3-4-2;1-3-2/h3H,1,4H2,2H3;3-4H,1-2H2;3H,1H2,2H3
InChIKeyUDWYKROBNSDNNQ-UHFFFAOYSA-N
MW152.28 g/mol
LogP4.13
Rot. Bonds2

About buta-1,3-diene;but-1-ene;prop-1-ene

buta-1,3-diene;but-1-ene;prop-1-ene (PubChem CID 161064943) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is buta-1,3-diene;but-1-ene;prop-1-ene.

Molecular Properties

Compound Namebuta-1,3-diene;but-1-ene;prop-1-ene
PubChem CID161064943
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Namebuta-1,3-diene;but-1-ene;prop-1-ene
SMILESC=CC.C=CC=C.C=CCC
InChIInChI=1S/C4H8.C4H6.C3H6/c2*1-3-4-2;1-3-2/h3H,1,4H2,2H3;3-4H,1-2H2;3H,1H2,2H3
InChIKeyUDWYKROBNSDNNQ-UHFFFAOYSA-N
XLogP4.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.28
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

but-1-ene;but-2-ene;prop-1-ene
CID 160918287
but-1-ene;dihydrofluoride
CID 175726295
but-1-ene;ethene
CID 19017343
CID 160723056
CID 160723056
but-1-ene;hex-1-ene;prop-1-ene
CID 86759030
but-1-ene;methanethiol
CID 174505705
butane;bis(but-1-ene)
CID 160596310
but-1-ene;ethane;(3Z)-hexa-1,3,5-triene
CID 144520758
but-1-ene;formonitrile
CID 175774246
but-1-ene;ethane;ethene;propane
CID 144521241
but-1-ene;4-methylpent-1-ene;prop-1-ene
CID 172806960
but-1-ene;(Z)-pent-2-ene
CID 156866422

Frequently Asked Questions

What is the IUPAC name of buta-1,3-diene;but-1-ene;prop-1-ene?
The IUPAC name of buta-1,3-diene;but-1-ene;prop-1-ene (CID 161064943) is buta-1,3-diene;but-1-ene;prop-1-ene.
What is the SMILES notation for buta-1,3-diene;but-1-ene;prop-1-ene?
The canonical SMILES for buta-1,3-diene;but-1-ene;prop-1-ene is C=CC.C=CC=C.C=CCC.
What is the InChIKey of buta-1,3-diene;but-1-ene;prop-1-ene?
The InChIKey is UDWYKROBNSDNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8.C4H6.C3H6/c2*1-3-4-2;1-3-2/h3H,1,4H2,2H3;3-4H,1-2H2;3H,1H2,2H3.
What are the key properties of buta-1,3-diene;but-1-ene;prop-1-ene?
buta-1,3-diene;but-1-ene;prop-1-ene has a molecular weight of 152.28 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for buta-1,3-diene;but-1-ene;prop-1-ene is sourced from PubChem (CID 161064943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).