ethane;(Z)-1-ethoxy-2-methylbut-2-ene

C9H20O — CID 145193092

IUPACethane;(Z)-1-ethoxy-2-methylbut-2-ene
SMILESC/C=C(/C)COCC.CC
InChIInChI=1S/C7H14O.C2H6/c1-4-7(3)6-8-5-2;1-2/h4H,5-6H2,1-3H3;1-2H3/b7-4-;
InChIKeyJRNLGOMIKCNRGQ-ZULQGGHCSA-N
MW144.26 g/mol
LogP3.02
Rot. Bonds3

About ethane;(Z)-1-ethoxy-2-methylbut-2-ene

ethane;(Z)-1-ethoxy-2-methylbut-2-ene (PubChem CID 145193092) has the molecular formula C9H20O and a molecular weight of 144.26 g/mol. Its IUPAC name is ethane;(Z)-1-ethoxy-2-methylbut-2-ene.

Molecular Properties

Compound Nameethane;(Z)-1-ethoxy-2-methylbut-2-ene
PubChem CID145193092
Molecular FormulaC9H20O
Molecular Weight144.26 g/mol
Exact Mass144.15
IUPAC Nameethane;(Z)-1-ethoxy-2-methylbut-2-ene
SMILESC/C=C(/C)COCC.CC
InChIInChI=1S/C7H14O.C2H6/c1-4-7(3)6-8-5-2;1-2/h4H,5-6H2,1-3H3;1-2H3/b7-4-;
InChIKeyJRNLGOMIKCNRGQ-ZULQGGHCSA-N
XLogP3.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.26
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze ethane;(Z)-1-ethoxy-2-methylbut-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 ethane;(Z)-1-ethoxy-2-methylbut-2-ene?
The IUPAC name of ethane;(Z)-1-ethoxy-2-methylbut-2-ene (CID 145193092) is ethane;(Z)-1-ethoxy-2-methylbut-2-ene.
What is the SMILES notation for ethane;(Z)-1-ethoxy-2-methylbut-2-ene?
The canonical SMILES for ethane;(Z)-1-ethoxy-2-methylbut-2-ene is C/C=C(/C)COCC.CC.
What is the InChIKey of ethane;(Z)-1-ethoxy-2-methylbut-2-ene?
The InChIKey is JRNLGOMIKCNRGQ-ZULQGGHCSA-N. The full InChI is InChI=1S/C7H14O.C2H6/c1-4-7(3)6-8-5-2;1-2/h4H,5-6H2,1-3H3;1-2H3/b7-4-;.
What are the key properties of ethane;(Z)-1-ethoxy-2-methylbut-2-ene?
ethane;(Z)-1-ethoxy-2-methylbut-2-ene has a molecular weight of 144.26 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-1-ethoxy-2-methylbut-2-ene is sourced from PubChem (CID 145193092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).