(Z)-1,2,4-trimethoxybut-2-ene

C7H14O3 — CID 5356164

IUPAC(Z)-1,2,4-trimethoxybut-2-ene
SMILESCOC/C=C(/COC)OC
InChIInChI=1S/C7H14O3/c1-8-5-4-7(10-3)6-9-2/h4H,5-6H2,1-3H3/b7-4-
InChIKeyGDUBNMHYTGXDCU-DAXSKMNVSA-N
MW146.19 g/mol
LogP0.81
Rot. Bonds5

About (Z)-1,2,4-trimethoxybut-2-ene

(Z)-1,2,4-trimethoxybut-2-ene (PubChem CID 5356164) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is (Z)-1,2,4-trimethoxybut-2-ene.

Molecular Properties

Compound Name(Z)-1,2,4-trimethoxybut-2-ene
PubChem CID5356164
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Name(Z)-1,2,4-trimethoxybut-2-ene
SMILESCOC/C=C(/COC)OC
InChIInChI=1S/C7H14O3/c1-8-5-4-7(10-3)6-9-2/h4H,5-6H2,1-3H3/b7-4-
InChIKeyGDUBNMHYTGXDCU-DAXSKMNVSA-N
XLogP0.81
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-1,2,4-trimethoxybut-2-ene?
The IUPAC name of (Z)-1,2,4-trimethoxybut-2-ene (CID 5356164) is (Z)-1,2,4-trimethoxybut-2-ene.
What is the SMILES notation for (Z)-1,2,4-trimethoxybut-2-ene?
The canonical SMILES for (Z)-1,2,4-trimethoxybut-2-ene is COC/C=C(/COC)OC.
What is the InChIKey of (Z)-1,2,4-trimethoxybut-2-ene?
The InChIKey is GDUBNMHYTGXDCU-DAXSKMNVSA-N. The full InChI is InChI=1S/C7H14O3/c1-8-5-4-7(10-3)6-9-2/h4H,5-6H2,1-3H3/b7-4-.
What are the key properties of (Z)-1,2,4-trimethoxybut-2-ene?
(Z)-1,2,4-trimethoxybut-2-ene has a molecular weight of 146.19 g/mol, XLogP of 0.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,2,4-trimethoxybut-2-ene is sourced from PubChem (CID 5356164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).