3-ethynoxy-2-methylprop-1-ene

C6H8O — CID 173114152

IUPAC3-ethynoxy-2-methylprop-1-ene
SMILESC#COCC(=C)C
InChIInChI=1S/C6H8O/c1-4-7-5-6(2)3/h1H,2,5H2,3H3
InChIKeyMKXNFOWBKIEMGA-UHFFFAOYSA-N
MW96.13 g/mol
LogP1.17
Rot. Bonds2

About 3-ethynoxy-2-methylprop-1-ene

3-ethynoxy-2-methylprop-1-ene (PubChem CID 173114152) has the molecular formula C6H8O and a molecular weight of 96.13 g/mol. Its IUPAC name is 3-ethynoxy-2-methylprop-1-ene.

Molecular Properties

Compound Name3-ethynoxy-2-methylprop-1-ene
PubChem CID173114152
Molecular FormulaC6H8O
Molecular Weight96.13 g/mol
Exact Mass96.06
IUPAC Name3-ethynoxy-2-methylprop-1-ene
SMILESC#COCC(=C)C
InChIInChI=1S/C6H8O/c1-4-7-5-6(2)3/h1H,2,5H2,3H3
InChIKeyMKXNFOWBKIEMGA-UHFFFAOYSA-N
XLogP1.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.13
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methylprop-2-enoxyphosphane
CID 58051437
2-ethynoxyethyl 2-methylprop-2-enoate
CID 87755893
2-methylprop-2-enoxy(phosphanyl)phosphane
CID 21045236
2-methyl-3-(2-methylprop-2-enoxymethoxy)prop-1-ene
CID 10942706
2-ethynoxyprop-1-ene
CID 91353276
N-[2-(2-methylprop-2-enoxy)ethyl]but-3-yn-2-amine
CID 114467532
(3R)-4,4-dimethyl-5-(2-methylprop-2-enoxy)pent-1-yn-3-ol
CID 124703307
2-methylprop-2-enoxymethylsilane
CID 173027266
2-prop-2-ynoxyprop-1-ene
CID 15853200
trimethyl(2-methylprop-2-enoxy)silane
CID 582142
1-ethynyl-2-(2-methylprop-2-enoxy)benzene
CID 11789677
CID 59269543
CID 59269543

Frequently Asked Questions

What is the IUPAC name of 3-ethynoxy-2-methylprop-1-ene?
The IUPAC name of 3-ethynoxy-2-methylprop-1-ene (CID 173114152) is 3-ethynoxy-2-methylprop-1-ene.
What is the SMILES notation for 3-ethynoxy-2-methylprop-1-ene?
The canonical SMILES for 3-ethynoxy-2-methylprop-1-ene is C#COCC(=C)C.
What is the InChIKey of 3-ethynoxy-2-methylprop-1-ene?
The InChIKey is MKXNFOWBKIEMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O/c1-4-7-5-6(2)3/h1H,2,5H2,3H3.
What are the key properties of 3-ethynoxy-2-methylprop-1-ene?
3-ethynoxy-2-methylprop-1-ene has a molecular weight of 96.13 g/mol, XLogP of 1.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethynoxy-2-methylprop-1-ene is sourced from PubChem (CID 173114152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).