2-methyl-1-(2-methylpropoxy)propane;oxiran-2-ylmethanol

C11H24O3 — CID 174542269

IUPAC2-methyl-1-(2-methylpropoxy)propane;oxiran-2-ylmethanol
SMILESCC(C)COCC(C)C.OCC1CO1
InChIInChI=1S/C8H18O.C3H6O2/c1-7(2)5-9-6-8(3)4;4-1-3-2-5-3/h7-8H,5-6H2,1-4H3;3-4H,1-2H2
InChIKeyHBYQXWUEXRKWEP-UHFFFAOYSA-N
MW204.31 g/mol
LogP1.69
Rot. Bonds5

About 2-methyl-1-(2-methylpropoxy)propane;oxiran-2-ylmethanol

2-methyl-1-(2-methylpropoxy)propane;oxiran-2-ylmethanol (PubChem CID 174542269) has the molecular formula C11H24O3 and a molecular weight of 204.31 g/mol. Its IUPAC name is 2-methyl-1-(2-methylpropoxy)propane;oxiran-2-ylmethanol.

Molecular Properties

Compound Name2-methyl-1-(2-methylpropoxy)propane;oxiran-2-ylmethanol
PubChem CID174542269
Molecular FormulaC11H24O3
Molecular Weight204.31 g/mol
Exact Mass204.17
IUPAC Name2-methyl-1-(2-methylpropoxy)propane;oxiran-2-ylmethanol
SMILESCC(C)COCC(C)C.OCC1CO1
InChIInChI=1S/C8H18O.C3H6O2/c1-7(2)5-9-6-8(3)4;4-1-3-2-5-3/h7-8H,5-6H2,1-4H3;3-4H,1-2H2
InChIKeyHBYQXWUEXRKWEP-UHFFFAOYSA-N
XLogP1.69
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-methylpropan-1-ol;oxiran-2-ylmethanol
CID 174774669
3-methyl-1-(3-methylbutoxy)butane;oxiran-2-ylmethanol
CID 174734254
[5-(2-methylpropyl)-1,4-dioxan-2-yl]methanol
CID 153300794
oxiran-2-ylmethanol;propane
CID 91466926
molecular iodine;oxiran-2-ylmethanol
CID 159687317
ethanol;2-methyl-1-(2-methylpropoxy)propane
CID 23506368
oxiran-2-ylmethanol;1-pentoxypentane
CID 174542251
methane;2-methyl-1-(2-methylpropoxy)propane
CID 162245040
1-hexoxyhexane;oxiran-2-ylmethanol
CID 87532682
oxiran-2-ylmethanol;propylsilane
CID 174273260
cyanic acid;oxiran-2-ylmethanol
CID 175278425
(2S)-2-(2-methylpropoxy)oxirane
CID 89027461

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methylpropoxy)propane;oxiran-2-ylmethanol?
The IUPAC name of 2-methyl-1-(2-methylpropoxy)propane;oxiran-2-ylmethanol (CID 174542269) is 2-methyl-1-(2-methylpropoxy)propane;oxiran-2-ylmethanol.
What is the SMILES notation for 2-methyl-1-(2-methylpropoxy)propane;oxiran-2-ylmethanol?
The canonical SMILES for 2-methyl-1-(2-methylpropoxy)propane;oxiran-2-ylmethanol is CC(C)COCC(C)C.OCC1CO1.
What is the InChIKey of 2-methyl-1-(2-methylpropoxy)propane;oxiran-2-ylmethanol?
The InChIKey is HBYQXWUEXRKWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O.C3H6O2/c1-7(2)5-9-6-8(3)4;4-1-3-2-5-3/h7-8H,5-6H2,1-4H3;3-4H,1-2H2.
What are the key properties of 2-methyl-1-(2-methylpropoxy)propane;oxiran-2-ylmethanol?
2-methyl-1-(2-methylpropoxy)propane;oxiran-2-ylmethanol has a molecular weight of 204.31 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methylpropoxy)propane;oxiran-2-ylmethanol is sourced from PubChem (CID 174542269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).