2-[2-[2-methyl-2-(3-methylbut-3-enoxy)propoxy]propan-2-yl]oxirane

C14H26O3 — CID 138481334

IUPAC2-[2-[2-methyl-2-(3-methylbut-3-enoxy)propoxy]propan-2-yl]oxirane
SMILESC=C(C)CCOC(C)(C)COC(C)(C)C1CO1
InChIInChI=1S/C14H26O3/c1-11(2)7-8-16-13(3,4)10-17-14(5,6)12-9-15-12/h12H,1,7-10H2,2-6H3
InChIKeyADDCHVFKLIQZQJ-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.94
Rot. Bonds8

About 2-[2-[2-methyl-2-(3-methylbut-3-enoxy)propoxy]propan-2-yl]oxirane

2-[2-[2-methyl-2-(3-methylbut-3-enoxy)propoxy]propan-2-yl]oxirane (PubChem CID 138481334) has the molecular formula C14H26O3 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-[2-[2-methyl-2-(3-methylbut-3-enoxy)propoxy]propan-2-yl]oxirane.

Molecular Properties

Compound Name2-[2-[2-methyl-2-(3-methylbut-3-enoxy)propoxy]propan-2-yl]oxirane
PubChem CID138481334
Molecular FormulaC14H26O3
Molecular Weight242.36 g/mol
Exact Mass242.19
IUPAC Name2-[2-[2-methyl-2-(3-methylbut-3-enoxy)propoxy]propan-2-yl]oxirane
SMILESC=C(C)CCOC(C)(C)COC(C)(C)C1CO1
InChIInChI=1S/C14H26O3/c1-11(2)7-8-16-13(3,4)10-17-14(5,6)12-9-15-12/h12H,1,7-10H2,2-6H3
InChIKeyADDCHVFKLIQZQJ-UHFFFAOYSA-N
XLogP2.94
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-Methylbut-3-enoxymethyl)oxirane
CID 15622945
2-[2-(3-Methylbut-3-enoxy)ethoxymethyl]oxirane
CID 88916378
2-[1,3-Bis[2-(3-methylbut-3-enoxy)ethoxy]propan-2-yloxymethyl]oxirane
CID 88916381
4-[2-(1-Methoxypropan-2-yloxy)ethoxy]-2-methylbut-1-ene
CID 118104079
2-[[1-[1-(2,4-Dimethylpent-4-en-2-yloxy)-2-methylpropan-2-yl]oxy-3-methyl-3-[2-methyl-2-(3-methylbut-3-enoxy)propoxy]butan-2-yl]oxymethyl]oxirane
CID 138481265
2-[[2-Methyl-4-(2-methylpent-4-en-2-yloxy)butan-2-yl]oxymethyl]oxirane
CID 156348625
4-Methoxy-5-propan-2-yloxy-4-(propan-2-yloxymethyl)pent-1-ene
CID 176894823
3-Methylidene-1-(2-methyl-4-propan-2-yloxybutan-2-yl)oxypentane
CID 178997881

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-methyl-2-(3-methylbut-3-enoxy)propoxy]propan-2-yl]oxirane?
The IUPAC name of 2-[2-[2-methyl-2-(3-methylbut-3-enoxy)propoxy]propan-2-yl]oxirane (CID 138481334) is 2-[2-[2-methyl-2-(3-methylbut-3-enoxy)propoxy]propan-2-yl]oxirane.
What is the SMILES notation for 2-[2-[2-methyl-2-(3-methylbut-3-enoxy)propoxy]propan-2-yl]oxirane?
The canonical SMILES for 2-[2-[2-methyl-2-(3-methylbut-3-enoxy)propoxy]propan-2-yl]oxirane is C=C(C)CCOC(C)(C)COC(C)(C)C1CO1.
What is the InChIKey of 2-[2-[2-methyl-2-(3-methylbut-3-enoxy)propoxy]propan-2-yl]oxirane?
The InChIKey is ADDCHVFKLIQZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O3/c1-11(2)7-8-16-13(3,4)10-17-14(5,6)12-9-15-12/h12H,1,7-10H2,2-6H3.
What are the key properties of 2-[2-[2-methyl-2-(3-methylbut-3-enoxy)propoxy]propan-2-yl]oxirane?
2-[2-[2-methyl-2-(3-methylbut-3-enoxy)propoxy]propan-2-yl]oxirane has a molecular weight of 242.36 g/mol, XLogP of 2.94, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-methyl-2-(3-methylbut-3-enoxy)propoxy]propan-2-yl]oxirane is sourced from PubChem (CID 138481334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).