2,4,4,6-tetramethyl-6-[(2-methylpropan-2-yl)oxy]-2-propan-2-yloxyheptan-3-one

C18H36O3 — CID 123404144

IUPAC2,4,4,6-tetramethyl-6-[(2-methylpropan-2-yl)oxy]-2-propan-2-yloxyheptan-3-one
SMILESCC(C)OC(C)(C)C(=O)C(C)(C)CC(C)(C)OC(C)(C)C
InChIInChI=1S/C18H36O3/c1-13(2)20-18(10,11)14(19)16(6,7)12-17(8,9)21-15(3,4)5/h13H,12H2,1-11H3
InChIKeyIDAIEYLWWWCOOE-UHFFFAOYSA-N
MW300.48 g/mol
LogP4.77
Rot. Bonds7

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

2,4,4,6-tetramethyl-6-[(2-methylpropan-2-yl)oxy]-2-propan-2-yloxyheptan-3-one (PubChem CID 123404144) has the molecular formula C18H36O3 and a molecular weight of 300.48 g/mol. Its IUPAC name is 2,4,4,6-tetramethyl-6-[(2-methylpropan-2-yl)oxy]-2-propan-2-yloxyheptan-3-one.

Molecular Properties

Compound Name2,4,4,6-tetramethyl-6-[(2-methylpropan-2-yl)oxy]-2-propan-2-yloxyheptan-3-one
PubChem CID123404144
Molecular FormulaC18H36O3
Molecular Weight300.48 g/mol
Exact Mass300.27
IUPAC Name2,4,4,6-tetramethyl-6-[(2-methylpropan-2-yl)oxy]-2-propan-2-yloxyheptan-3-one
SMILESCC(C)OC(C)(C)C(=O)C(C)(C)CC(C)(C)OC(C)(C)C
InChIInChI=1S/C18H36O3/c1-13(2)20-18(10,11)14(19)16(6,7)12-17(8,9)21-15(3,4)5/h13H,12H2,1-11H3
InChIKeyIDAIEYLWWWCOOE-UHFFFAOYSA-N
XLogP4.77
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.48
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4,4,6-tetramethyl-6-[(2-methylpropan-2-yl)oxy]-2-propan-2-yloxyheptan-3-one?
The IUPAC name of 2,4,4,6-tetramethyl-6-[(2-methylpropan-2-yl)oxy]-2-propan-2-yloxyheptan-3-one (CID 123404144) is 2,4,4,6-tetramethyl-6-[(2-methylpropan-2-yl)oxy]-2-propan-2-yloxyheptan-3-one.
What is the SMILES notation for 2,4,4,6-tetramethyl-6-[(2-methylpropan-2-yl)oxy]-2-propan-2-yloxyheptan-3-one?
The canonical SMILES for 2,4,4,6-tetramethyl-6-[(2-methylpropan-2-yl)oxy]-2-propan-2-yloxyheptan-3-one is CC(C)OC(C)(C)C(=O)C(C)(C)CC(C)(C)OC(C)(C)C.
What is the InChIKey of 2,4,4,6-tetramethyl-6-[(2-methylpropan-2-yl)oxy]-2-propan-2-yloxyheptan-3-one?
The InChIKey is IDAIEYLWWWCOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O3/c1-13(2)20-18(10,11)14(19)16(6,7)12-17(8,9)21-15(3,4)5/h13H,12H2,1-11H3.
What are the key properties of 2,4,4,6-tetramethyl-6-[(2-methylpropan-2-yl)oxy]-2-propan-2-yloxyheptan-3-one?
2,4,4,6-tetramethyl-6-[(2-methylpropan-2-yl)oxy]-2-propan-2-yloxyheptan-3-one has a molecular weight of 300.48 g/mol, XLogP of 4.77, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4,6-tetramethyl-6-[(2-methylpropan-2-yl)oxy]-2-propan-2-yloxyheptan-3-one is sourced from PubChem (CID 123404144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).