but-1-ene;ethene;hex-1-ene

C12H24 — CID 6454028

IUPACbut-1-ene;ethene;hex-1-ene
SMILESC=C.C=CCC.C=CCCCC
InChIInChI=1S/C6H12.C4H8.C2H4/c1-3-5-6-4-2;1-3-4-2;1-2/h3H,1,4-6H2,2H3;3H,1,4H2,2H3;1-2H2
InChIKeyUOGXGYSMNPZLQN-UHFFFAOYSA-N
MW168.32 g/mol
LogP4.75
Rot. Bonds4

About but-1-ene;ethene;hex-1-ene

but-1-ene;ethene;hex-1-ene (PubChem CID 6454028) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is but-1-ene;ethene;hex-1-ene.

Molecular Properties

Compound Namebut-1-ene;ethene;hex-1-ene
PubChem CID6454028
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Namebut-1-ene;ethene;hex-1-ene
SMILESC=C.C=CCC.C=CCCCC
InChIInChI=1S/C6H12.C4H8.C2H4/c1-3-5-6-4-2;1-3-4-2;1-2/h3H,1,4-6H2,2H3;3H,1,4H2,2H3;1-2H2
InChIKeyUOGXGYSMNPZLQN-UHFFFAOYSA-N
XLogP4.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.32
LogP ≤ 54.75
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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Frequently Asked Questions

What is the IUPAC name of but-1-ene;ethene;hex-1-ene?
The IUPAC name of but-1-ene;ethene;hex-1-ene (CID 6454028) is but-1-ene;ethene;hex-1-ene.
What is the SMILES notation for but-1-ene;ethene;hex-1-ene?
The canonical SMILES for but-1-ene;ethene;hex-1-ene is C=C.C=CCC.C=CCCCC.
What is the InChIKey of but-1-ene;ethene;hex-1-ene?
The InChIKey is UOGXGYSMNPZLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12.C4H8.C2H4/c1-3-5-6-4-2;1-3-4-2;1-2/h3H,1,4-6H2,2H3;3H,1,4H2,2H3;1-2H2.
What are the key properties of but-1-ene;ethene;hex-1-ene?
but-1-ene;ethene;hex-1-ene has a molecular weight of 168.32 g/mol, XLogP of 4.75, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-ene;ethene;hex-1-ene is sourced from PubChem (CID 6454028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).