but-1-ene;ethene;4-methylpent-1-ene

C12H24 — CID 159654271

IUPACbut-1-ene;ethene;4-methylpent-1-ene
SMILESC=C.C=CCC.C=CCC(C)C
InChIInChI=1S/C6H12.C4H8.C2H4/c1-4-5-6(2)3;1-3-4-2;1-2/h4,6H,1,5H2,2-3H3;3H,1,4H2,2H3;1-2H2
InChIKeyMRYZYKCSFIINJT-UHFFFAOYSA-N
MW168.32 g/mol
LogP4.60
Rot. Bonds3

About but-1-ene;ethene;4-methylpent-1-ene

but-1-ene;ethene;4-methylpent-1-ene (PubChem CID 159654271) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is but-1-ene;ethene;4-methylpent-1-ene.

Molecular Properties

Compound Namebut-1-ene;ethene;4-methylpent-1-ene
PubChem CID159654271
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Namebut-1-ene;ethene;4-methylpent-1-ene
SMILESC=C.C=CCC.C=CCC(C)C
InChIInChI=1S/C6H12.C4H8.C2H4/c1-4-5-6(2)3;1-3-4-2;1-2/h4,6H,1,5H2,2-3H3;3H,1,4H2,2H3;1-2H2
InChIKeyMRYZYKCSFIINJT-UHFFFAOYSA-N
XLogP4.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.32
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of but-1-ene;ethene;4-methylpent-1-ene?
The IUPAC name of but-1-ene;ethene;4-methylpent-1-ene (CID 159654271) is but-1-ene;ethene;4-methylpent-1-ene.
What is the SMILES notation for but-1-ene;ethene;4-methylpent-1-ene?
The canonical SMILES for but-1-ene;ethene;4-methylpent-1-ene is C=C.C=CCC.C=CCC(C)C.
What is the InChIKey of but-1-ene;ethene;4-methylpent-1-ene?
The InChIKey is MRYZYKCSFIINJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12.C4H8.C2H4/c1-4-5-6(2)3;1-3-4-2;1-2/h4,6H,1,5H2,2-3H3;3H,1,4H2,2H3;1-2H2.
What are the key properties of but-1-ene;ethene;4-methylpent-1-ene?
but-1-ene;ethene;4-methylpent-1-ene has a molecular weight of 168.32 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-ene;ethene;4-methylpent-1-ene is sourced from PubChem (CID 159654271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).