1,3-diethoxy-4-methoxy-2-methylbut-2-ene

C10H20O3 — CID 57287301

IUPAC1,3-diethoxy-4-methoxy-2-methylbut-2-ene
SMILESCCOCC(C)=C(COC)OCC
InChIInChI=1S/C10H20O3/c1-5-12-7-9(3)10(8-11-4)13-6-2/h5-8H2,1-4H3
InChIKeyWJXVTZCLCKPPKV-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.98
Rot. Bonds7

About 1,3-diethoxy-4-methoxy-2-methylbut-2-ene

1,3-diethoxy-4-methoxy-2-methylbut-2-ene (PubChem CID 57287301) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 1,3-diethoxy-4-methoxy-2-methylbut-2-ene.

Molecular Properties

Compound Name1,3-diethoxy-4-methoxy-2-methylbut-2-ene
PubChem CID57287301
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name1,3-diethoxy-4-methoxy-2-methylbut-2-ene
SMILESCCOCC(C)=C(COC)OCC
InChIInChI=1S/C10H20O3/c1-5-12-7-9(3)10(8-11-4)13-6-2/h5-8H2,1-4H3
InChIKeyWJXVTZCLCKPPKV-UHFFFAOYSA-N
XLogP1.98
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.98
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 1,3-diethoxy-4-methoxy-2-methylbut-2-ene?
The IUPAC name of 1,3-diethoxy-4-methoxy-2-methylbut-2-ene (CID 57287301) is 1,3-diethoxy-4-methoxy-2-methylbut-2-ene.
What is the SMILES notation for 1,3-diethoxy-4-methoxy-2-methylbut-2-ene?
The canonical SMILES for 1,3-diethoxy-4-methoxy-2-methylbut-2-ene is CCOCC(C)=C(COC)OCC.
What is the InChIKey of 1,3-diethoxy-4-methoxy-2-methylbut-2-ene?
The InChIKey is WJXVTZCLCKPPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-5-12-7-9(3)10(8-11-4)13-6-2/h5-8H2,1-4H3.
What are the key properties of 1,3-diethoxy-4-methoxy-2-methylbut-2-ene?
1,3-diethoxy-4-methoxy-2-methylbut-2-ene has a molecular weight of 188.27 g/mol, XLogP of 1.98, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethoxy-4-methoxy-2-methylbut-2-ene is sourced from PubChem (CID 57287301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).