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

C8H16O4 — CID 5382783

IUPAC(Z)-1,1,4,4-tetramethoxybut-2-ene
SMILESCOC(/C=C\C(OC)OC)OC
InChIInChI=1S/C8H16O4/c1-9-7(10-2)5-6-8(11-3)12-4/h5-8H,1-4H3/b6-5-
InChIKeyZFGVCDSFRAMNMT-WAYWQWQTSA-N
MW176.21 g/mol
LogP0.78
Rot. Bonds6

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

(Z)-1,1,4,4-tetramethoxybut-2-ene (PubChem CID 5382783) has the molecular formula C8H16O4 and a molecular weight of 176.21 g/mol. Its IUPAC name is (Z)-1,1,4,4-tetramethoxybut-2-ene.

Molecular Properties

Compound Name(Z)-1,1,4,4-tetramethoxybut-2-ene
PubChem CID5382783
Molecular FormulaC8H16O4
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Name(Z)-1,1,4,4-tetramethoxybut-2-ene
SMILESCOC(/C=C\C(OC)OC)OC
InChIInChI=1S/C8H16O4/c1-9-7(10-2)5-6-8(11-3)12-4/h5-8H,1-4H3/b6-5-
InChIKeyZFGVCDSFRAMNMT-WAYWQWQTSA-N
XLogP0.78
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-1,1,4,4-tetramethoxybut-2-ene?
The IUPAC name of (Z)-1,1,4,4-tetramethoxybut-2-ene (CID 5382783) is (Z)-1,1,4,4-tetramethoxybut-2-ene.
What is the SMILES notation for (Z)-1,1,4,4-tetramethoxybut-2-ene?
The canonical SMILES for (Z)-1,1,4,4-tetramethoxybut-2-ene is COC(/C=C\C(OC)OC)OC.
What is the InChIKey of (Z)-1,1,4,4-tetramethoxybut-2-ene?
The InChIKey is ZFGVCDSFRAMNMT-WAYWQWQTSA-N. The full InChI is InChI=1S/C8H16O4/c1-9-7(10-2)5-6-8(11-3)12-4/h5-8H,1-4H3/b6-5-.
What are the key properties of (Z)-1,1,4,4-tetramethoxybut-2-ene?
(Z)-1,1,4,4-tetramethoxybut-2-ene has a molecular weight of 176.21 g/mol, XLogP of 0.78, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,1,4,4-tetramethoxybut-2-ene is sourced from PubChem (CID 5382783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).