(Z)-5-methoxypent-2-ene

C6H12O — CID 59946556

IUPAC(Z)-5-methoxypent-2-ene
SMILESC/C=C\CCOC
InChIInChI=1S/C6H12O/c1-3-4-5-6-7-2/h3-4H,5-6H2,1-2H3/b4-3-
InChIKeyIYFJMSOPJUQBSR-ARJAWSKDSA-N
MW100.16 g/mol
LogP1.60
Rot. Bonds3

About (Z)-5-methoxypent-2-ene

(Z)-5-methoxypent-2-ene (PubChem CID 59946556) has the molecular formula C6H12O and a molecular weight of 100.16 g/mol. Its IUPAC name is (Z)-5-methoxypent-2-ene.

Molecular Properties

Compound Name(Z)-5-methoxypent-2-ene
PubChem CID59946556
Molecular FormulaC6H12O
Molecular Weight100.16 g/mol
Exact Mass100.09
IUPAC Name(Z)-5-methoxypent-2-ene
SMILESC/C=C\CCOC
InChIInChI=1S/C6H12O/c1-3-4-5-6-7-2/h3-4H,5-6H2,1-2H3/b4-3-
InChIKeyIYFJMSOPJUQBSR-ARJAWSKDSA-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (Z)-5-methoxypent-2-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 (Z)-5-methoxypent-2-ene?
The IUPAC name of (Z)-5-methoxypent-2-ene (CID 59946556) is (Z)-5-methoxypent-2-ene.
What is the SMILES notation for (Z)-5-methoxypent-2-ene?
The canonical SMILES for (Z)-5-methoxypent-2-ene is C/C=C\CCOC.
What is the InChIKey of (Z)-5-methoxypent-2-ene?
The InChIKey is IYFJMSOPJUQBSR-ARJAWSKDSA-N. The full InChI is InChI=1S/C6H12O/c1-3-4-5-6-7-2/h3-4H,5-6H2,1-2H3/b4-3-.
What are the key properties of (Z)-5-methoxypent-2-ene?
(Z)-5-methoxypent-2-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 (Z)-5-methoxypent-2-ene is sourced from PubChem (CID 59946556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).