ethane;2-ethoxy-3-methylbut-2-ene

C11H26O — CID 156797173

IUPACethane;2-ethoxy-3-methylbut-2-ene
SMILESCC.CC.CCOC(C)=C(C)C
InChIInChI=1S/C7H14O.2C2H6/c1-5-8-7(4)6(2)3;2*1-2/h5H2,1-4H3;2*1-2H3
InChIKeyMJPXMFNIVHGVKB-UHFFFAOYSA-N
MW174.33 g/mol
LogP4.39
Rot. Bonds2

About ethane;2-ethoxy-3-methylbut-2-ene

ethane;2-ethoxy-3-methylbut-2-ene (PubChem CID 156797173) has the molecular formula C11H26O and a molecular weight of 174.33 g/mol. Its IUPAC name is ethane;2-ethoxy-3-methylbut-2-ene.

Molecular Properties

Compound Nameethane;2-ethoxy-3-methylbut-2-ene
PubChem CID156797173
Molecular FormulaC11H26O
Molecular Weight174.33 g/mol
Exact Mass174.20
IUPAC Nameethane;2-ethoxy-3-methylbut-2-ene
SMILESCC.CC.CCOC(C)=C(C)C
InChIInChI=1S/C7H14O.2C2H6/c1-5-8-7(4)6(2)3;2*1-2/h5H2,1-4H3;2*1-2H3
InChIKeyMJPXMFNIVHGVKB-UHFFFAOYSA-N
XLogP4.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.33
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze ethane;2-ethoxy-3-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;2-ethoxy-3-methylbut-2-ene?
The IUPAC name of ethane;2-ethoxy-3-methylbut-2-ene (CID 156797173) is ethane;2-ethoxy-3-methylbut-2-ene.
What is the SMILES notation for ethane;2-ethoxy-3-methylbut-2-ene?
The canonical SMILES for ethane;2-ethoxy-3-methylbut-2-ene is CC.CC.CCOC(C)=C(C)C.
What is the InChIKey of ethane;2-ethoxy-3-methylbut-2-ene?
The InChIKey is MJPXMFNIVHGVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O.2C2H6/c1-5-8-7(4)6(2)3;2*1-2/h5H2,1-4H3;2*1-2H3.
What are the key properties of ethane;2-ethoxy-3-methylbut-2-ene?
ethane;2-ethoxy-3-methylbut-2-ene has a molecular weight of 174.33 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethoxy-3-methylbut-2-ene is sourced from PubChem (CID 156797173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).