1-(3-ethyl-2-methyloxetan-3-yl)-2-methylprop-2-en-1-one

C10H16O2 — CID 67955322

IUPAC1-(3-ethyl-2-methyloxetan-3-yl)-2-methylprop-2-en-1-one
SMILESC=C(C)C(=O)C1(CC)COC1C
InChIInChI=1S/C10H16O2/c1-5-10(6-12-8(10)4)9(11)7(2)3/h8H,2,5-6H2,1,3-4H3
InChIKeyWZUOLDRJROTWDK-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.95
Rot. Bonds3

About 1-(3-ethyl-2-methyloxetan-3-yl)-2-methylprop-2-en-1-one

1-(3-ethyl-2-methyloxetan-3-yl)-2-methylprop-2-en-1-one (PubChem CID 67955322) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-(3-ethyl-2-methyloxetan-3-yl)-2-methylprop-2-en-1-one.

Molecular Properties

Compound Name1-(3-ethyl-2-methyloxetan-3-yl)-2-methylprop-2-en-1-one
PubChem CID67955322
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name1-(3-ethyl-2-methyloxetan-3-yl)-2-methylprop-2-en-1-one
SMILESC=C(C)C(=O)C1(CC)COC1C
InChIInChI=1S/C10H16O2/c1-5-10(6-12-8(10)4)9(11)7(2)3/h8H,2,5-6H2,1,3-4H3
InChIKeyWZUOLDRJROTWDK-UHFFFAOYSA-N
XLogP1.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-2-methyloxetan-3-yl)-2-methylprop-2-en-1-one?
The IUPAC name of 1-(3-ethyl-2-methyloxetan-3-yl)-2-methylprop-2-en-1-one (CID 67955322) is 1-(3-ethyl-2-methyloxetan-3-yl)-2-methylprop-2-en-1-one.
What is the SMILES notation for 1-(3-ethyl-2-methyloxetan-3-yl)-2-methylprop-2-en-1-one?
The canonical SMILES for 1-(3-ethyl-2-methyloxetan-3-yl)-2-methylprop-2-en-1-one is C=C(C)C(=O)C1(CC)COC1C.
What is the InChIKey of 1-(3-ethyl-2-methyloxetan-3-yl)-2-methylprop-2-en-1-one?
The InChIKey is WZUOLDRJROTWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-5-10(6-12-8(10)4)9(11)7(2)3/h8H,2,5-6H2,1,3-4H3.
What are the key properties of 1-(3-ethyl-2-methyloxetan-3-yl)-2-methylprop-2-en-1-one?
1-(3-ethyl-2-methyloxetan-3-yl)-2-methylprop-2-en-1-one has a molecular weight of 168.24 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-2-methyloxetan-3-yl)-2-methylprop-2-en-1-one is sourced from PubChem (CID 67955322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).