ethenoxyethane;2-methylprop-1-ene

C8H16O — CID 87753645

IUPACethenoxyethane;2-methylprop-1-ene
SMILESC=C(C)C.C=COCC
InChIInChI=1S/C4H8O.C4H8/c1-3-5-4-2;1-4(2)3/h3H,1,4H2,2H3;1H2,2-3H3
InChIKeyXEACIRXPMHNNLG-UHFFFAOYSA-N
MW128.21 g/mol
LogP2.75
Rot. Bonds2

About ethenoxyethane;2-methylprop-1-ene

ethenoxyethane;2-methylprop-1-ene (PubChem CID 87753645) has the molecular formula C8H16O and a molecular weight of 128.21 g/mol. Its IUPAC name is ethenoxyethane;2-methylprop-1-ene.

Molecular Properties

Compound Nameethenoxyethane;2-methylprop-1-ene
PubChem CID87753645
Molecular FormulaC8H16O
Molecular Weight128.21 g/mol
Exact Mass128.12
IUPAC Nameethenoxyethane;2-methylprop-1-ene
SMILESC=C(C)C.C=COCC
InChIInChI=1S/C4H8O.C4H8/c1-3-5-4-2;1-4(2)3/h3H,1,4H2,2H3;1H2,2-3H3
InChIKeyXEACIRXPMHNNLG-UHFFFAOYSA-N
XLogP2.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.21
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze ethenoxyethane;2-methylprop-1-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 ethenoxyethane;2-methylprop-1-ene?
The IUPAC name of ethenoxyethane;2-methylprop-1-ene (CID 87753645) is ethenoxyethane;2-methylprop-1-ene.
What is the SMILES notation for ethenoxyethane;2-methylprop-1-ene?
The canonical SMILES for ethenoxyethane;2-methylprop-1-ene is C=C(C)C.C=COCC.
What is the InChIKey of ethenoxyethane;2-methylprop-1-ene?
The InChIKey is XEACIRXPMHNNLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O.C4H8/c1-3-5-4-2;1-4(2)3/h3H,1,4H2,2H3;1H2,2-3H3.
What are the key properties of ethenoxyethane;2-methylprop-1-ene?
ethenoxyethane;2-methylprop-1-ene has a molecular weight of 128.21 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethenoxyethane;2-methylprop-1-ene is sourced from PubChem (CID 87753645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).