2-methyl-2-propan-2-yloxypropane;propan-2-yl 2,2-dimethylpropanoate;2,2,4-trimethylpentan-3-one

C23H48O4 — CID 160553098

IUPAC2-methyl-2-propan-2-yloxypropane;propan-2-yl 2,2-dimethylpropanoate;2,2,4-trimethylpentan-3-one
SMILESCC(C)C(=O)C(C)(C)C.CC(C)OC(=O)C(C)(C)C.CC(C)OC(C)(C)C
InChIInChI=1S/C8H16O2.C8H16O.C7H16O/c1-6(2)10-7(9)8(3,4)5;1-6(2)7(9)8(3,4)5;1-6(2)8-7(3,4)5/h6H,1-5H3;6H,1-5H3;6H,1-5H3
InChIKeyQYIGNWSLSUWYFO-UHFFFAOYSA-N
MW388.63 g/mol
LogP6.45
Rot. Bonds3

About 2-methyl-2-propan-2-yloxypropane;propan-2-yl 2,2-dimethylpropanoate;2,2,4-trimethylpentan-3-one

2-methyl-2-propan-2-yloxypropane;propan-2-yl 2,2-dimethylpropanoate;2,2,4-trimethylpentan-3-one (PubChem CID 160553098) has the molecular formula C23H48O4 and a molecular weight of 388.63 g/mol. Its IUPAC name is 2-methyl-2-propan-2-yloxypropane;propan-2-yl 2,2-dimethylpropanoate;2,2,4-trimethylpentan-3-one.

Molecular Properties

Compound Name2-methyl-2-propan-2-yloxypropane;propan-2-yl 2,2-dimethylpropanoate;2,2,4-trimethylpentan-3-one
PubChem CID160553098
Molecular FormulaC23H48O4
Molecular Weight388.63 g/mol
Exact Mass388.36
IUPAC Name2-methyl-2-propan-2-yloxypropane;propan-2-yl 2,2-dimethylpropanoate;2,2,4-trimethylpentan-3-one
SMILESCC(C)C(=O)C(C)(C)C.CC(C)OC(=O)C(C)(C)C.CC(C)OC(C)(C)C
InChIInChI=1S/C8H16O2.C8H16O.C7H16O/c1-6(2)10-7(9)8(3,4)5;1-6(2)7(9)8(3,4)5;1-6(2)8-7(3,4)5/h6H,1-5H3;6H,1-5H3;6H,1-5H3
InChIKeyQYIGNWSLSUWYFO-UHFFFAOYSA-N
XLogP6.45
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.63
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-methyl-2-propan-2-yloxypropane;propan-2-yl 2,2-dimethylpropanoate;2,2,4-trimethylpentan-3-one with MolForge

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Related Compounds

1-[(2-methylpropan-2-yl)oxy]ethyl 2,2-dimethylpropanoate
CID 59371128
2-methyl-2-propan-2-yloxypropane;propan-2-ol
CID 88729747
methane;3-methylbutan-2-one;2,2,4-trimethylpentan-3-one
CID 159361320
[(2S)-1-chloro-1-oxopropan-2-yl] 2,2-dimethylpropanoate
CID 18639920
[(2R)-1-(2,2-dimethylpropanoyloxy)-1-oxopropan-2-yl] 2,2-dimethylpropanoate
CID 59581101
[(1S)-1-chloroethyl] 2,2-dimethylpropanoate
CID 92939031
methane;propan-2-yl 2-methyl-2-(methylamino)propanoate
CID 167683486
propan-2-yl 2-acetyl-3-oxo-2-propan-2-yloxybutanoate
CID 175257909
propan-2-yl N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)carbamate
CID 58331813
dipropan-2-yl 2,3-dimethoxy-2,3-dimethylbutanedioate
CID 139989252
propan-2-yl 2,2-dichloro-3-methylbutanoate
CID 57232967
propan-2-yl 2,2,2-tribromoacetate
CID 6432844

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-propan-2-yloxypropane;propan-2-yl 2,2-dimethylpropanoate;2,2,4-trimethylpentan-3-one?
The IUPAC name of 2-methyl-2-propan-2-yloxypropane;propan-2-yl 2,2-dimethylpropanoate;2,2,4-trimethylpentan-3-one (CID 160553098) is 2-methyl-2-propan-2-yloxypropane;propan-2-yl 2,2-dimethylpropanoate;2,2,4-trimethylpentan-3-one.
What is the SMILES notation for 2-methyl-2-propan-2-yloxypropane;propan-2-yl 2,2-dimethylpropanoate;2,2,4-trimethylpentan-3-one?
The canonical SMILES for 2-methyl-2-propan-2-yloxypropane;propan-2-yl 2,2-dimethylpropanoate;2,2,4-trimethylpentan-3-one is CC(C)C(=O)C(C)(C)C.CC(C)OC(=O)C(C)(C)C.CC(C)OC(C)(C)C.
What is the InChIKey of 2-methyl-2-propan-2-yloxypropane;propan-2-yl 2,2-dimethylpropanoate;2,2,4-trimethylpentan-3-one?
The InChIKey is QYIGNWSLSUWYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2.C8H16O.C7H16O/c1-6(2)10-7(9)8(3,4)5;1-6(2)7(9)8(3,4)5;1-6(2)8-7(3,4)5/h6H,1-5H3;6H,1-5H3;6H,1-5H3.
What are the key properties of 2-methyl-2-propan-2-yloxypropane;propan-2-yl 2,2-dimethylpropanoate;2,2,4-trimethylpentan-3-one?
2-methyl-2-propan-2-yloxypropane;propan-2-yl 2,2-dimethylpropanoate;2,2,4-trimethylpentan-3-one has a molecular weight of 388.63 g/mol, XLogP of 6.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-propan-2-yloxypropane;propan-2-yl 2,2-dimethylpropanoate;2,2,4-trimethylpentan-3-one is sourced from PubChem (CID 160553098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).