ethane;3-ethenoxy-2-methylprop-1-ene

C8H16O — CID 144862314

IUPACethane;3-ethenoxy-2-methylprop-1-ene
SMILESC=COCC(=C)C.CC
InChIInChI=1S/C6H10O.C2H6/c1-4-7-5-6(2)3;1-2/h4H,1-2,5H2,3H3;1-2H3
InChIKeyTVJCGVBCAHENHT-UHFFFAOYSA-N
MW128.21 g/mol
LogP2.75
Rot. Bonds3

About ethane;3-ethenoxy-2-methylprop-1-ene

ethane;3-ethenoxy-2-methylprop-1-ene (PubChem CID 144862314) has the molecular formula C8H16O and a molecular weight of 128.21 g/mol. Its IUPAC name is ethane;3-ethenoxy-2-methylprop-1-ene.

Molecular Properties

Compound Nameethane;3-ethenoxy-2-methylprop-1-ene
PubChem CID144862314
Molecular FormulaC8H16O
Molecular Weight128.21 g/mol
Exact Mass128.12
IUPAC Nameethane;3-ethenoxy-2-methylprop-1-ene
SMILESC=COCC(=C)C.CC
InChIInChI=1S/C6H10O.C2H6/c1-4-7-5-6(2)3;1-2/h4H,1-2,5H2,3H3;1-2H3
InChIKeyTVJCGVBCAHENHT-UHFFFAOYSA-N
XLogP2.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
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'}

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Frequently Asked Questions

What is the IUPAC name of ethane;3-ethenoxy-2-methylprop-1-ene?
The IUPAC name of ethane;3-ethenoxy-2-methylprop-1-ene (CID 144862314) is ethane;3-ethenoxy-2-methylprop-1-ene.
What is the SMILES notation for ethane;3-ethenoxy-2-methylprop-1-ene?
The canonical SMILES for ethane;3-ethenoxy-2-methylprop-1-ene is C=COCC(=C)C.CC.
What is the InChIKey of ethane;3-ethenoxy-2-methylprop-1-ene?
The InChIKey is TVJCGVBCAHENHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O.C2H6/c1-4-7-5-6(2)3;1-2/h4H,1-2,5H2,3H3;1-2H3.
What are the key properties of ethane;3-ethenoxy-2-methylprop-1-ene?
ethane;3-ethenoxy-2-methylprop-1-ene has a molecular weight of 128.21 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethenoxy-2-methylprop-1-ene is sourced from PubChem (CID 144862314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).