4-methylpent-1-ene

C6H11- — CID 91200523

IUPAC4-methylpent-1-ene
SMILESC=[C-]CC(C)C
InChIInChI=1S/C6H11/c1-4-5-6(2)3/h6H,1,5H2,2-3H3/q-1
InChIKeyQNZIBOXHHZZZCD-UHFFFAOYSA-N
MW83.15 g/mol
LogP2.02
Rot. Bonds2

About 4-methylpent-1-ene

4-methylpent-1-ene (PubChem CID 91200523) has the molecular formula C6H11- and a molecular weight of 83.15 g/mol. Its IUPAC name is 4-methylpent-1-ene.

Molecular Properties

Compound Name4-methylpent-1-ene
PubChem CID91200523
Molecular FormulaC6H11-
Molecular Weight83.15 g/mol
Exact Mass83.09
IUPAC Name4-methylpent-1-ene
SMILESC=[C-]CC(C)C
InChIInChI=1S/C6H11/c1-4-5-6(2)3/h6H,1,5H2,2-3H3/q-1
InChIKeyQNZIBOXHHZZZCD-UHFFFAOYSA-N
XLogP2.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50083.15
LogP ≤ 52.02
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 4-methylpent-1-ene?
The IUPAC name of 4-methylpent-1-ene (CID 91200523) is 4-methylpent-1-ene.
What is the SMILES notation for 4-methylpent-1-ene?
The canonical SMILES for 4-methylpent-1-ene is C=[C-]CC(C)C.
What is the InChIKey of 4-methylpent-1-ene?
The InChIKey is QNZIBOXHHZZZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11/c1-4-5-6(2)3/h6H,1,5H2,2-3H3/q-1.
What are the key properties of 4-methylpent-1-ene?
4-methylpent-1-ene has a molecular weight of 83.15 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpent-1-ene is sourced from PubChem (CID 91200523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).