(Z)-1-ethoxy-3-methoxy-2-methylprop-1-ene;methane

C10H26O2 — CID 159559152

IUPAC(Z)-1-ethoxy-3-methoxy-2-methylprop-1-ene;methane
SMILESC.C.C.CCO/C=C(/C)COC
InChIInChI=1S/C7H14O2.3CH4/c1-4-9-6-7(2)5-8-3;;;/h6H,4-5H2,1-3H3;3*1H4/b7-6-;;;
InChIKeyMGJMIMWJIDYDBY-YYFHNNNUSA-N
MW178.32 g/mol
LogP3.48
Rot. Bonds4

About (Z)-1-ethoxy-3-methoxy-2-methylprop-1-ene;methane

(Z)-1-ethoxy-3-methoxy-2-methylprop-1-ene;methane (PubChem CID 159559152) has the molecular formula C10H26O2 and a molecular weight of 178.32 g/mol. Its IUPAC name is (Z)-1-ethoxy-3-methoxy-2-methylprop-1-ene;methane.

Molecular Properties

Compound Name(Z)-1-ethoxy-3-methoxy-2-methylprop-1-ene;methane
PubChem CID159559152
Molecular FormulaC10H26O2
Molecular Weight178.32 g/mol
Exact Mass178.19
IUPAC Name(Z)-1-ethoxy-3-methoxy-2-methylprop-1-ene;methane
SMILESC.C.C.CCO/C=C(/C)COC
InChIInChI=1S/C7H14O2.3CH4/c1-4-9-6-7(2)5-8-3;;;/h6H,4-5H2,1-3H3;3*1H4/b7-6-;;;
InChIKeyMGJMIMWJIDYDBY-YYFHNNNUSA-N
XLogP3.48
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.32
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-1-ethoxy-3-methoxy-2-methylprop-1-ene;methane 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)-1-ethoxy-3-methoxy-2-methylprop-1-ene;methane?
The IUPAC name of (Z)-1-ethoxy-3-methoxy-2-methylprop-1-ene;methane (CID 159559152) is (Z)-1-ethoxy-3-methoxy-2-methylprop-1-ene;methane.
What is the SMILES notation for (Z)-1-ethoxy-3-methoxy-2-methylprop-1-ene;methane?
The canonical SMILES for (Z)-1-ethoxy-3-methoxy-2-methylprop-1-ene;methane is C.C.C.CCO/C=C(/C)COC.
What is the InChIKey of (Z)-1-ethoxy-3-methoxy-2-methylprop-1-ene;methane?
The InChIKey is MGJMIMWJIDYDBY-YYFHNNNUSA-N. The full InChI is InChI=1S/C7H14O2.3CH4/c1-4-9-6-7(2)5-8-3;;;/h6H,4-5H2,1-3H3;3*1H4/b7-6-;;;.
What are the key properties of (Z)-1-ethoxy-3-methoxy-2-methylprop-1-ene;methane?
(Z)-1-ethoxy-3-methoxy-2-methylprop-1-ene;methane has a molecular weight of 178.32 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-ethoxy-3-methoxy-2-methylprop-1-ene;methane is sourced from PubChem (CID 159559152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).