2-ethoxy-2,4,4,6-tetramethyl-6-[(2-methylpropan-2-yl)oxy]heptan-3-one

C17H34O3 — CID 123230636

IUPAC2-ethoxy-2,4,4,6-tetramethyl-6-[(2-methylpropan-2-yl)oxy]heptan-3-one
SMILESCCOC(C)(C)C(=O)C(C)(C)CC(C)(C)OC(C)(C)C
InChIInChI=1S/C17H34O3/c1-11-19-17(9,10)13(18)15(5,6)12-16(7,8)20-14(2,3)4/h11-12H2,1-10H3
InChIKeyNXIIOEQJPMPGSI-UHFFFAOYSA-N
MW286.46 g/mol
LogP4.38
Rot. Bonds7

About 2-ethoxy-2,4,4,6-tetramethyl-6-[(2-methylpropan-2-yl)oxy]heptan-3-one

2-ethoxy-2,4,4,6-tetramethyl-6-[(2-methylpropan-2-yl)oxy]heptan-3-one (PubChem CID 123230636) has the molecular formula C17H34O3 and a molecular weight of 286.46 g/mol. Its IUPAC name is 2-ethoxy-2,4,4,6-tetramethyl-6-[(2-methylpropan-2-yl)oxy]heptan-3-one.

Molecular Properties

Compound Name2-ethoxy-2,4,4,6-tetramethyl-6-[(2-methylpropan-2-yl)oxy]heptan-3-one
PubChem CID123230636
Molecular FormulaC17H34O3
Molecular Weight286.46 g/mol
Exact Mass286.25
IUPAC Name2-ethoxy-2,4,4,6-tetramethyl-6-[(2-methylpropan-2-yl)oxy]heptan-3-one
SMILESCCOC(C)(C)C(=O)C(C)(C)CC(C)(C)OC(C)(C)C
InChIInChI=1S/C17H34O3/c1-11-19-17(9,10)13(18)15(5,6)12-16(7,8)20-14(2,3)4/h11-12H2,1-10H3
InChIKeyNXIIOEQJPMPGSI-UHFFFAOYSA-N
XLogP4.38
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Tert-butyl-2-ethoxy-2,4,6,6-tetramethyloctan-3-one
CID 89233746
6-Hydroxy-2,4,4-trimethyl-2-(2-propoxypropoxy)heptan-3-one
CID 89298795
4-(2,2-Dimethylpropyl)-2-(3-methoxy-3-methylbutoxy)-2,4,5,5-tetramethylheptan-3-one
CID 89314880
4-Methyl-1-[4-methyl-2-(2-methylpropyl)-2-propylpentoxy]hexan-2-one
CID 91197534
4-(2,2-Dimethylpropyl)-2,5,5-trimethyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]heptan-3-one
CID 117980576
4-Tert-butyl-2-(3-methoxy-3-methylbutoxy)-2,4,6,6-tetramethylheptan-3-one
CID 122521175
4-Tert-butyl-2-(3-methoxy-3-methylbutoxy)-4,6,6-trimethylheptan-3-one
CID 122521176
2,4,4,6-Tetramethyl-6-[(2-methylpropan-2-yl)oxy]-2-(2,4,4-trimethylpentan-2-yloxy)heptan-3-one
CID 123217043
2-Methoxy-2,4,4,6-tetramethyl-6-[2,3,3-trimethyl-5-[(2-methylpropan-2-yl)oxy]-4-oxohexan-2-yl]oxyheptan-3-one
CID 123238123
2,2,4,4,6-Pentamethyl-6-(2-methyl-3-oxobutan-2-yl)oxyheptan-3-one
CID 123282917
2,2,4,4,6-Pentamethyl-6-(2-methyl-3-oxopentan-2-yl)oxyheptan-3-one
CID 123284158
4-Ethyl-2,2,4,6-tetramethyl-6-(2,4,4,6,6-pentamethyl-3-oxoheptan-2-yl)oxyheptan-3-one
CID 123332462

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2,4,4,6-tetramethyl-6-[(2-methylpropan-2-yl)oxy]heptan-3-one?
The IUPAC name of 2-ethoxy-2,4,4,6-tetramethyl-6-[(2-methylpropan-2-yl)oxy]heptan-3-one (CID 123230636) is 2-ethoxy-2,4,4,6-tetramethyl-6-[(2-methylpropan-2-yl)oxy]heptan-3-one.
What is the SMILES notation for 2-ethoxy-2,4,4,6-tetramethyl-6-[(2-methylpropan-2-yl)oxy]heptan-3-one?
The canonical SMILES for 2-ethoxy-2,4,4,6-tetramethyl-6-[(2-methylpropan-2-yl)oxy]heptan-3-one is CCOC(C)(C)C(=O)C(C)(C)CC(C)(C)OC(C)(C)C.
What is the InChIKey of 2-ethoxy-2,4,4,6-tetramethyl-6-[(2-methylpropan-2-yl)oxy]heptan-3-one?
The InChIKey is NXIIOEQJPMPGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O3/c1-11-19-17(9,10)13(18)15(5,6)12-16(7,8)20-14(2,3)4/h11-12H2,1-10H3.
What are the key properties of 2-ethoxy-2,4,4,6-tetramethyl-6-[(2-methylpropan-2-yl)oxy]heptan-3-one?
2-ethoxy-2,4,4,6-tetramethyl-6-[(2-methylpropan-2-yl)oxy]heptan-3-one has a molecular weight of 286.46 g/mol, XLogP of 4.38, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2,4,4,6-tetramethyl-6-[(2-methylpropan-2-yl)oxy]heptan-3-one is sourced from PubChem (CID 123230636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).