(E)-but-2-ene;2-methylbut-1-ene

C9H18 — CID 160732245

IUPAC(E)-but-2-ene;2-methylbut-1-ene
SMILESC/C=C/C.C=C(C)CC
InChIInChI=1S/C5H10.C4H8/c1-4-5(2)3;1-3-4-2/h2,4H2,1,3H3;3-4H,1-2H3/b;4-3+
InChIKeyRUMOUQNVKXNYGB-SCBDLNNBSA-N
MW126.24 g/mol
LogP3.55
Rot. Bonds1

About (E)-but-2-ene;2-methylbut-1-ene

(E)-but-2-ene;2-methylbut-1-ene (PubChem CID 160732245) has the molecular formula C9H18 and a molecular weight of 126.24 g/mol. Its IUPAC name is (E)-but-2-ene;2-methylbut-1-ene.

Molecular Properties

Compound Name(E)-but-2-ene;2-methylbut-1-ene
PubChem CID160732245
Molecular FormulaC9H18
Molecular Weight126.24 g/mol
Exact Mass126.14
IUPAC Name(E)-but-2-ene;2-methylbut-1-ene
SMILESC/C=C/C.C=C(C)CC
InChIInChI=1S/C5H10.C4H8/c1-4-5(2)3;1-3-4-2/h2,4H2,1,3H3;3-4H,1-2H3/b;4-3+
InChIKeyRUMOUQNVKXNYGB-SCBDLNNBSA-N
XLogP3.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.24
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

but-2-ene;2-methylbut-1-ene
CID 160732246
methane;bis(2-methylbut-1-ene)
CID 160529780
but-1-ene;2-methylbut-1-ene
CID 90770104
2-methylbuta-1,3-diene;2-methylbut-1-ene
CID 160626231
butane;ethane;2-methylbut-1-ene
CID 142050807
N,N-dimethylmethanamine;2-methylbut-1-ene
CID 88812091
2,2-dimethylpropane;2-methylbut-1-ene
CID 143831735
buta-1,2-diene;ethane;methane;2-methylbut-1-ene;2-methylpropane;propane
CID 143721190
(4E)-2-methylhexa-1,4-diene
CID 5367524
ethane;methanamine;2-methylbut-1-ene;2-methylpropane
CID 142055312
butane;bis(butan-2-one);but-2-ene
CID 158283643
hex-1-ene;2-methylbut-1-ene
CID 172686626

Frequently Asked Questions

What is the IUPAC name of (E)-but-2-ene;2-methylbut-1-ene?
The IUPAC name of (E)-but-2-ene;2-methylbut-1-ene (CID 160732245) is (E)-but-2-ene;2-methylbut-1-ene.
What is the SMILES notation for (E)-but-2-ene;2-methylbut-1-ene?
The canonical SMILES for (E)-but-2-ene;2-methylbut-1-ene is C/C=C/C.C=C(C)CC.
What is the InChIKey of (E)-but-2-ene;2-methylbut-1-ene?
The InChIKey is RUMOUQNVKXNYGB-SCBDLNNBSA-N. The full InChI is InChI=1S/C5H10.C4H8/c1-4-5(2)3;1-3-4-2/h2,4H2,1,3H3;3-4H,1-2H3/b;4-3+.
What are the key properties of (E)-but-2-ene;2-methylbut-1-ene?
(E)-but-2-ene;2-methylbut-1-ene has a molecular weight of 126.24 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-but-2-ene;2-methylbut-1-ene is sourced from PubChem (CID 160732245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).