3-methoxypent-1-ene

C6H12O — CID 551178

IUPAC3-methoxypent-1-ene
SMILESC=CC(CC)OC
InChIInChI=1S/C6H12O/c1-4-6(5-2)7-3/h4,6H,1,5H2,2-3H3
InChIKeyQCKUVLJIMYEIRI-UHFFFAOYSA-N
MW100.16 g/mol
LogP1.60
Rot. Bonds3

About 3-methoxypent-1-ene

3-methoxypent-1-ene (PubChem CID 551178) has the molecular formula C6H12O and a molecular weight of 100.16 g/mol. Its IUPAC name is 3-methoxypent-1-ene.

Molecular Properties

Compound Name3-methoxypent-1-ene
PubChem CID551178
Molecular FormulaC6H12O
Molecular Weight100.16 g/mol
Exact Mass100.09
IUPAC Name3-methoxypent-1-ene
SMILESC=CC(CC)OC
InChIInChI=1S/C6H12O/c1-4-6(5-2)7-3/h4,6H,1,5H2,2-3H3
InChIKeyQCKUVLJIMYEIRI-UHFFFAOYSA-N
XLogP1.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.16
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-methoxypent-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 3-methoxypent-1-ene?
The IUPAC name of 3-methoxypent-1-ene (CID 551178) is 3-methoxypent-1-ene.
What is the SMILES notation for 3-methoxypent-1-ene?
The canonical SMILES for 3-methoxypent-1-ene is C=CC(CC)OC.
What is the InChIKey of 3-methoxypent-1-ene?
The InChIKey is QCKUVLJIMYEIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O/c1-4-6(5-2)7-3/h4,6H,1,5H2,2-3H3.
What are the key properties of 3-methoxypent-1-ene?
3-methoxypent-1-ene has a molecular weight of 100.16 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxypent-1-ene is sourced from PubChem (CID 551178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).