ethenol;1-ethenoxybutane

C8H16O2 — CID 86742155

IUPACethenol;1-ethenoxybutane
SMILESC=CO.C=COCCCC
InChIInChI=1S/C6H12O.C2H4O/c1-3-5-6-7-4-2;1-2-3/h4H,2-3,5-6H2,1H3;2-3H,1H2
InChIKeyBWNHVNVRDCRMIM-UHFFFAOYSA-N
MW144.21 g/mol
LogP2.63
Rot. Bonds4

About ethenol;1-ethenoxybutane

ethenol;1-ethenoxybutane (PubChem CID 86742155) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is ethenol;1-ethenoxybutane.

Molecular Properties

Compound Nameethenol;1-ethenoxybutane
PubChem CID86742155
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Nameethenol;1-ethenoxybutane
SMILESC=CO.C=COCCCC
InChIInChI=1S/C6H12O.C2H4O/c1-3-5-6-7-4-2;1-2-3/h4H,2-3,5-6H2,1H3;2-3H,1H2
InChIKeyBWNHVNVRDCRMIM-UHFFFAOYSA-N
XLogP2.63
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethenol;1-ethenoxybutane 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 ethenol;1-ethenoxybutane?
The IUPAC name of ethenol;1-ethenoxybutane (CID 86742155) is ethenol;1-ethenoxybutane.
What is the SMILES notation for ethenol;1-ethenoxybutane?
The canonical SMILES for ethenol;1-ethenoxybutane is C=CO.C=COCCCC.
What is the InChIKey of ethenol;1-ethenoxybutane?
The InChIKey is BWNHVNVRDCRMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O.C2H4O/c1-3-5-6-7-4-2;1-2-3/h4H,2-3,5-6H2,1H3;2-3H,1H2.
What are the key properties of ethenol;1-ethenoxybutane?
ethenol;1-ethenoxybutane has a molecular weight of 144.21 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenol;1-ethenoxybutane is sourced from PubChem (CID 86742155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).