3-methyl-3-(2-methylprop-2-enoxy)-1-propan-2-yloxybutane

C12H24O2 — CID 90221696

IUPAC3-methyl-3-(2-methylprop-2-enoxy)-1-propan-2-yloxybutane
SMILESC=C(C)COC(C)(C)CCOC(C)C
InChIInChI=1S/C12H24O2/c1-10(2)9-14-12(5,6)7-8-13-11(3)4/h11H,1,7-9H2,2-6H3
InChIKeyBNPSNDOAFJSTAF-UHFFFAOYSA-N
MW200.32 g/mol
LogP3.17
Rot. Bonds7

About 3-methyl-3-(2-methylprop-2-enoxy)-1-propan-2-yloxybutane

3-methyl-3-(2-methylprop-2-enoxy)-1-propan-2-yloxybutane (PubChem CID 90221696) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 3-methyl-3-(2-methylprop-2-enoxy)-1-propan-2-yloxybutane.

Molecular Properties

Compound Name3-methyl-3-(2-methylprop-2-enoxy)-1-propan-2-yloxybutane
PubChem CID90221696
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name3-methyl-3-(2-methylprop-2-enoxy)-1-propan-2-yloxybutane
SMILESC=C(C)COC(C)(C)CCOC(C)C
InChIInChI=1S/C12H24O2/c1-10(2)9-14-12(5,6)7-8-13-11(3)4/h11H,1,7-9H2,2-6H3
InChIKeyBNPSNDOAFJSTAF-UHFFFAOYSA-N
XLogP3.17
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(2-methylprop-2-enoxy)-1-propan-2-yloxybutane?
The IUPAC name of 3-methyl-3-(2-methylprop-2-enoxy)-1-propan-2-yloxybutane (CID 90221696) is 3-methyl-3-(2-methylprop-2-enoxy)-1-propan-2-yloxybutane.
What is the SMILES notation for 3-methyl-3-(2-methylprop-2-enoxy)-1-propan-2-yloxybutane?
The canonical SMILES for 3-methyl-3-(2-methylprop-2-enoxy)-1-propan-2-yloxybutane is C=C(C)COC(C)(C)CCOC(C)C.
What is the InChIKey of 3-methyl-3-(2-methylprop-2-enoxy)-1-propan-2-yloxybutane?
The InChIKey is BNPSNDOAFJSTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-10(2)9-14-12(5,6)7-8-13-11(3)4/h11H,1,7-9H2,2-6H3.
What are the key properties of 3-methyl-3-(2-methylprop-2-enoxy)-1-propan-2-yloxybutane?
3-methyl-3-(2-methylprop-2-enoxy)-1-propan-2-yloxybutane has a molecular weight of 200.32 g/mol, XLogP of 3.17, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(2-methylprop-2-enoxy)-1-propan-2-yloxybutane is sourced from PubChem (CID 90221696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).