2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;undecane

C19H42O — CID 174934900

IUPAC2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;undecane
SMILESCC(C)(C)OC(C)(C)C.CCCCCCCCCCC
InChIInChI=1S/C11H24.C8H18O/c1-3-5-7-9-11-10-8-6-4-2;1-7(2,3)9-8(4,5)6/h3-11H2,1-2H3;1-6H3
InChIKeyOZQNRZMWEJNCKJ-UHFFFAOYSA-N
MW286.54 g/mol
LogP7.14
Rot. Bonds8

About 2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;undecane

2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;undecane (PubChem CID 174934900) has the molecular formula C19H42O and a molecular weight of 286.54 g/mol. Its IUPAC name is 2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;undecane.

Molecular Properties

Compound Name2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;undecane
PubChem CID174934900
Molecular FormulaC19H42O
Molecular Weight286.54 g/mol
Exact Mass286.32
IUPAC Name2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;undecane
SMILESCC(C)(C)OC(C)(C)C.CCCCCCCCCCC
InChIInChI=1S/C11H24.C8H18O/c1-3-5-7-9-11-10-8-6-4-2;1-7(2,3)9-8(4,5)6/h3-11H2,1-2H3;1-6H3
InChIKeyOZQNRZMWEJNCKJ-UHFFFAOYSA-N
XLogP7.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.54
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethylpropane;heptane
CID 144531055
heptane;hexane;octane;pentane
CID 159214735
2-hydroperoxy-2-methylpropane;nonane
CID 19855271
tetrakis(nonane);bis(pentane)
CID 158390230
decane;ruthenium
CID 160818595
octane;pentane
CID 19101448
sodium;butan-1-olate;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane
CID 175810945
2-methoxy-2-methylpropane;pentane
CID 22145886
5-[tris[(2-methylpropan-2-yl)oxy]methyl]tridecane
CID 150125068
ethane;heptane;pentane
CID 142269041
(2-methylpropan-2-yl)oxy-undecylsilane
CID 174595144
hexyl-[(2-methylpropan-2-yl)oxy]silane
CID 123485750

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;undecane?
The IUPAC name of 2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;undecane (CID 174934900) is 2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;undecane.
What is the SMILES notation for 2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;undecane?
The canonical SMILES for 2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;undecane is CC(C)(C)OC(C)(C)C.CCCCCCCCCCC.
What is the InChIKey of 2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;undecane?
The InChIKey is OZQNRZMWEJNCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24.C8H18O/c1-3-5-7-9-11-10-8-6-4-2;1-7(2,3)9-8(4,5)6/h3-11H2,1-2H3;1-6H3.
What are the key properties of 2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;undecane?
2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;undecane has a molecular weight of 286.54 g/mol, XLogP of 7.14, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;undecane is sourced from PubChem (CID 174934900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).