2-ethyl-2-methyl-1-(oxetan-3-yl)nonan-1-one

C15H28O2 — CID 137482743

IUPAC2-ethyl-2-methyl-1-(oxetan-3-yl)nonan-1-one
SMILESCCCCCCCC(C)(CC)C(=O)C1COC1
InChIInChI=1S/C15H28O2/c1-4-6-7-8-9-10-15(3,5-2)14(16)13-11-17-12-13/h13H,4-12H2,1-3H3
InChIKeyMYZZFVQTHXQAAL-UHFFFAOYSA-N
MW240.39 g/mol
LogP3.98
Rot. Bonds9

About 2-ethyl-2-methyl-1-(oxetan-3-yl)nonan-1-one

2-ethyl-2-methyl-1-(oxetan-3-yl)nonan-1-one (PubChem CID 137482743) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-ethyl-2-methyl-1-(oxetan-3-yl)nonan-1-one.

Molecular Properties

Compound Name2-ethyl-2-methyl-1-(oxetan-3-yl)nonan-1-one
PubChem CID137482743
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name2-ethyl-2-methyl-1-(oxetan-3-yl)nonan-1-one
SMILESCCCCCCCC(C)(CC)C(=O)C1COC1
InChIInChI=1S/C15H28O2/c1-4-6-7-8-9-10-15(3,5-2)14(16)13-11-17-12-13/h13H,4-12H2,1-3H3
InChIKeyMYZZFVQTHXQAAL-UHFFFAOYSA-N
XLogP3.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methyl-1-(oxetan-3-yl)nonan-1-one?
The IUPAC name of 2-ethyl-2-methyl-1-(oxetan-3-yl)nonan-1-one (CID 137482743) is 2-ethyl-2-methyl-1-(oxetan-3-yl)nonan-1-one.
What is the SMILES notation for 2-ethyl-2-methyl-1-(oxetan-3-yl)nonan-1-one?
The canonical SMILES for 2-ethyl-2-methyl-1-(oxetan-3-yl)nonan-1-one is CCCCCCCC(C)(CC)C(=O)C1COC1.
What is the InChIKey of 2-ethyl-2-methyl-1-(oxetan-3-yl)nonan-1-one?
The InChIKey is MYZZFVQTHXQAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-4-6-7-8-9-10-15(3,5-2)14(16)13-11-17-12-13/h13H,4-12H2,1-3H3.
What are the key properties of 2-ethyl-2-methyl-1-(oxetan-3-yl)nonan-1-one?
2-ethyl-2-methyl-1-(oxetan-3-yl)nonan-1-one has a molecular weight of 240.39 g/mol, XLogP of 3.98, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methyl-1-(oxetan-3-yl)nonan-1-one is sourced from PubChem (CID 137482743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).