but-2-ene;hept-1-ene

C11H22 — CID 158899213

IUPACbut-2-ene;hept-1-ene
SMILESC=CCCCCC.CC=CC
InChIInChI=1S/C7H14.C4H8/c1-3-5-7-6-4-2;1-3-4-2/h3H,1,4-7H2,2H3;3-4H,1-2H3
InChIKeyJFFIHORTYXONTA-UHFFFAOYSA-N
MW154.30 g/mol
LogP4.34
Rot. Bonds4

About but-2-ene;hept-1-ene

but-2-ene;hept-1-ene (PubChem CID 158899213) has the molecular formula C11H22 and a molecular weight of 154.30 g/mol. Its IUPAC name is but-2-ene;hept-1-ene.

Molecular Properties

Compound Namebut-2-ene;hept-1-ene
PubChem CID158899213
Molecular FormulaC11H22
Molecular Weight154.30 g/mol
Exact Mass154.17
IUPAC Namebut-2-ene;hept-1-ene
SMILESC=CCCCCC.CC=CC
InChIInChI=1S/C7H14.C4H8/c1-3-5-7-6-4-2;1-3-4-2/h3H,1,4-7H2,2H3;3-4H,1-2H3
InChIKeyJFFIHORTYXONTA-UHFFFAOYSA-N
XLogP4.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.30
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

non-1-ene
CID 141296734
hexane;octadec-1-ene
CID 175577514
octadeca-1,17-diene;tetradec-1-ene
CID 173070986
octadec-1-ene;tetradec-1-ene
CID 158470925
dec-1-ene;dodec-1-ene;tetradec-1-ene
CID 159177706
octadecane;octadec-1-ene
CID 162018238
hept-1-ene;polane
CID 173465915
oct-1-ene;tetrahydrochloride
CID 172847494
dec-1-ene;ethene
CID 161044144
oct-1-ene;hydrobromide
CID 88838560
dodec-1-ene;ethene
CID 158697165
tetrakis(but-1-ene);oct-1-ene
CID 158942238

Frequently Asked Questions

What is the IUPAC name of but-2-ene;hept-1-ene?
The IUPAC name of but-2-ene;hept-1-ene (CID 158899213) is but-2-ene;hept-1-ene.
What is the SMILES notation for but-2-ene;hept-1-ene?
The canonical SMILES for but-2-ene;hept-1-ene is C=CCCCCC.CC=CC.
What is the InChIKey of but-2-ene;hept-1-ene?
The InChIKey is JFFIHORTYXONTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14.C4H8/c1-3-5-7-6-4-2;1-3-4-2/h3H,1,4-7H2,2H3;3-4H,1-2H3.
What are the key properties of but-2-ene;hept-1-ene?
but-2-ene;hept-1-ene has a molecular weight of 154.30 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-ene;hept-1-ene is sourced from PubChem (CID 158899213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).