but-1-ene;2-methylbut-1-ene

C9H18 — CID 90770104

IUPACbut-1-ene;2-methylbut-1-ene
SMILESC=C(C)CC.C=CCC
InChIInChI=1S/C5H10.C4H8/c1-4-5(2)3;1-3-4-2/h2,4H2,1,3H3;3H,1,4H2,2H3
InChIKeyPRWZSSOCGJNJGS-UHFFFAOYSA-N
MW126.24 g/mol
LogP3.55
Rot. Bonds2

About but-1-ene;2-methylbut-1-ene

but-1-ene;2-methylbut-1-ene (PubChem CID 90770104) has the molecular formula C9H18 and a molecular weight of 126.24 g/mol. Its IUPAC name is but-1-ene;2-methylbut-1-ene.

Molecular Properties

Compound Namebut-1-ene;2-methylbut-1-ene
PubChem CID90770104
Molecular FormulaC9H18
Molecular Weight126.24 g/mol
Exact Mass126.14
IUPAC Namebut-1-ene;2-methylbut-1-ene
SMILESC=C(C)CC.C=CCC
InChIInChI=1S/C5H10.C4H8/c1-4-5(2)3;1-3-4-2/h2,4H2,1,3H3;3H,1,4H2,2H3
InChIKeyPRWZSSOCGJNJGS-UHFFFAOYSA-N
XLogP3.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
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

Isoprene
CID 6557
Butene, all isomers
CID 6435908
2-Methyl-1,4-pentadiene
CID 12987
2-Methylbuta-1,3-diene--2-methylprop-1-ene (1/1)
CID 62703
Isoprene butadiene
CID 168288
Ethene propene 1-butene
CID 168434
7,7-Dimethylocta-1,4,5-triene
CID 14814094
But-1-ene;but-2-ene
CID 62694
Trimethyl(2-methylene-3-buten-1-yl)stannane
CID 12519738
2,5-Dimethylhepta-3,4-diene
CID 15093824
3-Methylhepta-3,4-diene
CID 15581380
3-Methylbutene-1 butene-1
CID 17829557

Frequently Asked Questions

What is the IUPAC name of but-1-ene;2-methylbut-1-ene?
The IUPAC name of but-1-ene;2-methylbut-1-ene (CID 90770104) is but-1-ene;2-methylbut-1-ene.
What is the SMILES notation for but-1-ene;2-methylbut-1-ene?
The canonical SMILES for but-1-ene;2-methylbut-1-ene is C=C(C)CC.C=CCC.
What is the InChIKey of but-1-ene;2-methylbut-1-ene?
The InChIKey is PRWZSSOCGJNJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10.C4H8/c1-4-5(2)3;1-3-4-2/h2,4H2,1,3H3;3H,1,4H2,2H3.
What are the key properties of but-1-ene;2-methylbut-1-ene?
but-1-ene;2-methylbut-1-ene has a molecular weight of 126.24 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-ene;2-methylbut-1-ene is sourced from PubChem (CID 90770104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).