2,3-dimethyl-3-(2-methylprop-1-enoxy)-1-propan-2-yloxybutane

C13H26O2 — CID 89233906

IUPAC2,3-dimethyl-3-(2-methylprop-1-enoxy)-1-propan-2-yloxybutane
SMILESCC(C)=COC(C)(C)C(C)COC(C)C
InChIInChI=1S/C13H26O2/c1-10(2)8-15-13(6,7)12(5)9-14-11(3)4/h8,11-12H,9H2,1-7H3
InChIKeyCLTLDLWYRFYGJW-UHFFFAOYSA-N
MW214.35 g/mol
LogP3.77
Rot. Bonds6

About 2,3-dimethyl-3-(2-methylprop-1-enoxy)-1-propan-2-yloxybutane

2,3-dimethyl-3-(2-methylprop-1-enoxy)-1-propan-2-yloxybutane (PubChem CID 89233906) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is 2,3-dimethyl-3-(2-methylprop-1-enoxy)-1-propan-2-yloxybutane.

Molecular Properties

Compound Name2,3-dimethyl-3-(2-methylprop-1-enoxy)-1-propan-2-yloxybutane
PubChem CID89233906
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Name2,3-dimethyl-3-(2-methylprop-1-enoxy)-1-propan-2-yloxybutane
SMILESCC(C)=COC(C)(C)C(C)COC(C)C
InChIInChI=1S/C13H26O2/c1-10(2)8-15-13(6,7)12(5)9-14-11(3)4/h8,11-12H,9H2,1-7H3
InChIKeyCLTLDLWYRFYGJW-UHFFFAOYSA-N
XLogP3.77
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-3-(2-methylprop-1-enoxy)-1-propan-2-yloxybutane?
The IUPAC name of 2,3-dimethyl-3-(2-methylprop-1-enoxy)-1-propan-2-yloxybutane (CID 89233906) is 2,3-dimethyl-3-(2-methylprop-1-enoxy)-1-propan-2-yloxybutane.
What is the SMILES notation for 2,3-dimethyl-3-(2-methylprop-1-enoxy)-1-propan-2-yloxybutane?
The canonical SMILES for 2,3-dimethyl-3-(2-methylprop-1-enoxy)-1-propan-2-yloxybutane is CC(C)=COC(C)(C)C(C)COC(C)C.
What is the InChIKey of 2,3-dimethyl-3-(2-methylprop-1-enoxy)-1-propan-2-yloxybutane?
The InChIKey is CLTLDLWYRFYGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2/c1-10(2)8-15-13(6,7)12(5)9-14-11(3)4/h8,11-12H,9H2,1-7H3.
What are the key properties of 2,3-dimethyl-3-(2-methylprop-1-enoxy)-1-propan-2-yloxybutane?
2,3-dimethyl-3-(2-methylprop-1-enoxy)-1-propan-2-yloxybutane has a molecular weight of 214.35 g/mol, XLogP of 3.77, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-3-(2-methylprop-1-enoxy)-1-propan-2-yloxybutane is sourced from PubChem (CID 89233906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).