1-(2-methylprop-1-enoxy)propan-2-one

C7H12O2 — CID 12741667

IUPAC1-(2-methylprop-1-enoxy)propan-2-one
SMILESCC(=O)COC=C(C)C
InChIInChI=1S/C7H12O2/c1-6(2)4-9-5-7(3)8/h4H,5H2,1-3H3
InChIKeyFDBRZYGCHHHOMM-UHFFFAOYSA-N
MW128.17 g/mol
LogP1.52
Rot. Bonds3

About 1-(2-methylprop-1-enoxy)propan-2-one

1-(2-methylprop-1-enoxy)propan-2-one (PubChem CID 12741667) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 1-(2-methylprop-1-enoxy)propan-2-one.

Molecular Properties

Compound Name1-(2-methylprop-1-enoxy)propan-2-one
PubChem CID12741667
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name1-(2-methylprop-1-enoxy)propan-2-one
SMILESCC(=O)COC=C(C)C
InChIInChI=1S/C7H12O2/c1-6(2)4-9-5-7(3)8/h4H,5H2,1-3H3
InChIKeyFDBRZYGCHHHOMM-UHFFFAOYSA-N
XLogP1.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-oxopropyl formate
CID 10920454
1-(2-methylprop-1-enylamino)oxypropan-2-one
CID 123256071
N-(2-oxopropoxy)formamide
CID 174709773
2,2-dimethyl-1-(2-methylprop-1-enoxy)propane
CID 22234825
2-(2-methylprop-1-enoxy)ethylphosphane
CID 151289257
(3E)-3-(2-methylprop-1-enoxymethyl)hexa-1,3,5-triene
CID 168899282
1-aminooxypropan-2-one
CID 20700160
2-(2-methylprop-1-enoxy)ethanesulfonic acid
CID 150211651
1-ethoxy-2-methylprop-1-ene;1-methoxy-2-methylprop-1-ene
CID 87702218
methanol;2-oxopropyl acetate
CID 174729097
2-oxopropyl acetate;bis(vanadium)
CID 175077929
tris[3-(2-methylprop-1-enoxy)propyl] phosphate
CID 151388000

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylprop-1-enoxy)propan-2-one?
The IUPAC name of 1-(2-methylprop-1-enoxy)propan-2-one (CID 12741667) is 1-(2-methylprop-1-enoxy)propan-2-one.
What is the SMILES notation for 1-(2-methylprop-1-enoxy)propan-2-one?
The canonical SMILES for 1-(2-methylprop-1-enoxy)propan-2-one is CC(=O)COC=C(C)C.
What is the InChIKey of 1-(2-methylprop-1-enoxy)propan-2-one?
The InChIKey is FDBRZYGCHHHOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c1-6(2)4-9-5-7(3)8/h4H,5H2,1-3H3.
What are the key properties of 1-(2-methylprop-1-enoxy)propan-2-one?
1-(2-methylprop-1-enoxy)propan-2-one has a molecular weight of 128.17 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylprop-1-enoxy)propan-2-one is sourced from PubChem (CID 12741667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).