2-methylbut-2-ene

C5H9- — CID 134832871

IUPAC2-methylbut-2-ene
SMILESC[C-]=C(C)C
InChIInChI=1S/C5H9/c1-4-5(2)3/h1-3H3/q-1
InChIKeyPLFKOCWHCXWUGK-UHFFFAOYSA-N
MW69.13 g/mol
LogP1.78
Rot. Bonds

About 2-methylbut-2-ene

2-methylbut-2-ene (PubChem CID 134832871) has the molecular formula C5H9- and a molecular weight of 69.13 g/mol. Its IUPAC name is 2-methylbut-2-ene.

Molecular Properties

Compound Name2-methylbut-2-ene
PubChem CID134832871
Molecular FormulaC5H9-
Molecular Weight69.13 g/mol
Exact Mass69.07
IUPAC Name2-methylbut-2-ene
SMILESC[C-]=C(C)C
InChIInChI=1S/C5H9/c1-4-5(2)3/h1-3H3/q-1
InChIKeyPLFKOCWHCXWUGK-UHFFFAOYSA-N
XLogP1.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50069.13
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methylbut-2-ene?
The IUPAC name of 2-methylbut-2-ene (CID 134832871) is 2-methylbut-2-ene.
What is the SMILES notation for 2-methylbut-2-ene?
The canonical SMILES for 2-methylbut-2-ene is C[C-]=C(C)C.
What is the InChIKey of 2-methylbut-2-ene?
The InChIKey is PLFKOCWHCXWUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9/c1-4-5(2)3/h1-3H3/q-1.
What are the key properties of 2-methylbut-2-ene?
2-methylbut-2-ene has a molecular weight of 69.13 g/mol, XLogP of 1.78, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbut-2-ene is sourced from PubChem (CID 134832871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).