but-1-ene;3,3-dimethylbut-1-ene;3-methylbut-1-ene;pent-1-ene

C20H40 — CID 174805110

IUPACbut-1-ene;3,3-dimethylbut-1-ene;3-methylbut-1-ene;pent-1-ene
SMILESC=CC(C)(C)C.C=CC(C)C.C=CCC.C=CCCC
InChIInChI=1S/C6H12.2C5H10.C4H8/c1-5-6(2,3)4;1-4-5(2)3;1-3-5-4-2;1-3-4-2/h5H,1H2,2-4H3;4-5H,1H2,2-3H3;3H,1,4-5H2,2H3;3H,1,4H2,2H3
InChIKeyZGDUPJDFOFAUOU-UHFFFAOYSA-N
MW280.54 g/mol
LogP7.60
Rot. Bonds4

About but-1-ene;3,3-dimethylbut-1-ene;3-methylbut-1-ene;pent-1-ene

but-1-ene;3,3-dimethylbut-1-ene;3-methylbut-1-ene;pent-1-ene (PubChem CID 174805110) has the molecular formula C20H40 and a molecular weight of 280.54 g/mol. Its IUPAC name is but-1-ene;3,3-dimethylbut-1-ene;3-methylbut-1-ene;pent-1-ene.

Molecular Properties

Compound Namebut-1-ene;3,3-dimethylbut-1-ene;3-methylbut-1-ene;pent-1-ene
PubChem CID174805110
Molecular FormulaC20H40
Molecular Weight280.54 g/mol
Exact Mass280.31
IUPAC Namebut-1-ene;3,3-dimethylbut-1-ene;3-methylbut-1-ene;pent-1-ene
SMILESC=CC(C)(C)C.C=CC(C)C.C=CCC.C=CCCC
InChIInChI=1S/C6H12.2C5H10.C4H8/c1-5-6(2,3)4;1-4-5(2)3;1-3-5-4-2;1-3-4-2/h5H,1H2,2-4H3;4-5H,1H2,2-3H3;3H,1,4-5H2,2H3;3H,1,4H2,2H3
InChIKeyZGDUPJDFOFAUOU-UHFFFAOYSA-N
XLogP7.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.54
LogP ≤ 57.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze but-1-ene;3,3-dimethylbut-1-ene;3-methylbut-1-ene;pent-1-ene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of but-1-ene;3,3-dimethylbut-1-ene;3-methylbut-1-ene;pent-1-ene?
The IUPAC name of but-1-ene;3,3-dimethylbut-1-ene;3-methylbut-1-ene;pent-1-ene (CID 174805110) is but-1-ene;3,3-dimethylbut-1-ene;3-methylbut-1-ene;pent-1-ene.
What is the SMILES notation for but-1-ene;3,3-dimethylbut-1-ene;3-methylbut-1-ene;pent-1-ene?
The canonical SMILES for but-1-ene;3,3-dimethylbut-1-ene;3-methylbut-1-ene;pent-1-ene is C=CC(C)(C)C.C=CC(C)C.C=CCC.C=CCCC.
What is the InChIKey of but-1-ene;3,3-dimethylbut-1-ene;3-methylbut-1-ene;pent-1-ene?
The InChIKey is ZGDUPJDFOFAUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12.2C5H10.C4H8/c1-5-6(2,3)4;1-4-5(2)3;1-3-5-4-2;1-3-4-2/h5H,1H2,2-4H3;4-5H,1H2,2-3H3;3H,1,4-5H2,2H3;3H,1,4H2,2H3.
What are the key properties of but-1-ene;3,3-dimethylbut-1-ene;3-methylbut-1-ene;pent-1-ene?
but-1-ene;3,3-dimethylbut-1-ene;3-methylbut-1-ene;pent-1-ene has a molecular weight of 280.54 g/mol, XLogP of 7.60, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-ene;3,3-dimethylbut-1-ene;3-methylbut-1-ene;pent-1-ene is sourced from PubChem (CID 174805110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).