but-1-ene;2-methylbutane

C9H20 — CID 142013560

IUPACbut-1-ene;2-methylbutane
SMILESC=CCC.CCC(C)C
InChIInChI=1S/C5H12.C4H8/c1-4-5(2)3;1-3-4-2/h5H,4H2,1-3H3;3H,1,4H2,2H3
InChIKeyKOWVZYRZNHOGSH-UHFFFAOYSA-N
MW128.26 g/mol
LogP3.63
Rot. Bonds2

About but-1-ene;2-methylbutane

but-1-ene;2-methylbutane (PubChem CID 142013560) has the molecular formula C9H20 and a molecular weight of 128.26 g/mol. Its IUPAC name is but-1-ene;2-methylbutane.

Molecular Properties

Compound Namebut-1-ene;2-methylbutane
PubChem CID142013560
Molecular FormulaC9H20
Molecular Weight128.26 g/mol
Exact Mass128.16
IUPAC Namebut-1-ene;2-methylbutane
SMILESC=CCC.CCC(C)C
InChIInChI=1S/C5H12.C4H8/c1-4-5(2)3;1-3-4-2/h5H,4H2,1-3H3;3H,1,4H2,2H3
InChIKeyKOWVZYRZNHOGSH-UHFFFAOYSA-N
XLogP3.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.26
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze but-1-ene;2-methylbutane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

but-1-ene;4-methylpent-1-ene
CID 23001909
but-1-ene;dihydrofluoride
CID 175726295
but-1-ene;ethene
CID 19017343
2-methylbutane
CID 159175971
but-1-ene;4-methylpent-1-ene;prop-1-ene
CID 172806960
2-methylbutane
CID 158117812
acetylene;but-1-ene;ethene;2-methylbutane;4-methylpent-2-yne
CID 144526742
but-1-ene;methanethiol
CID 174505705
butane;bis(but-1-ene)
CID 160596310
2-methylbutane;yttrium
CID 157105537
2-methylbutane;nickel
CID 159021520
ethane;ethene;2-methylbutane;propane
CID 142006499

Frequently Asked Questions

What is the IUPAC name of but-1-ene;2-methylbutane?
The IUPAC name of but-1-ene;2-methylbutane (CID 142013560) is but-1-ene;2-methylbutane.
What is the SMILES notation for but-1-ene;2-methylbutane?
The canonical SMILES for but-1-ene;2-methylbutane is C=CCC.CCC(C)C.
What is the InChIKey of but-1-ene;2-methylbutane?
The InChIKey is KOWVZYRZNHOGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12.C4H8/c1-4-5(2)3;1-3-4-2/h5H,4H2,1-3H3;3H,1,4H2,2H3.
What are the key properties of but-1-ene;2-methylbutane?
but-1-ene;2-methylbutane has a molecular weight of 128.26 g/mol, XLogP of 3.63, 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-methylbutane is sourced from PubChem (CID 142013560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).