2-[di(propan-2-yloxy)methyl]oxirane

C9H18O3 — CID 91432286

IUPAC2-[di(propan-2-yloxy)methyl]oxirane
SMILESCC(C)OC(OC(C)C)C1CO1
InChIInChI=1S/C9H18O3/c1-6(2)11-9(8-5-10-8)12-7(3)4/h6-9H,5H2,1-4H3
InChIKeyYKXTYBHIHIBGMD-UHFFFAOYSA-N
MW174.24 g/mol
LogP1.56
Rot. Bonds5

About 2-[di(propan-2-yloxy)methyl]oxirane

2-[di(propan-2-yloxy)methyl]oxirane (PubChem CID 91432286) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is 2-[di(propan-2-yloxy)methyl]oxirane.

Molecular Properties

Compound Name2-[di(propan-2-yloxy)methyl]oxirane
PubChem CID91432286
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name2-[di(propan-2-yloxy)methyl]oxirane
SMILESCC(C)OC(OC(C)C)C1CO1
InChIInChI=1S/C9H18O3/c1-6(2)11-9(8-5-10-8)12-7(3)4/h6-9H,5H2,1-4H3
InChIKeyYKXTYBHIHIBGMD-UHFFFAOYSA-N
XLogP1.56
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[di(propan-2-yloxy)methyl]oxirane?
The IUPAC name of 2-[di(propan-2-yloxy)methyl]oxirane (CID 91432286) is 2-[di(propan-2-yloxy)methyl]oxirane.
What is the SMILES notation for 2-[di(propan-2-yloxy)methyl]oxirane?
The canonical SMILES for 2-[di(propan-2-yloxy)methyl]oxirane is CC(C)OC(OC(C)C)C1CO1.
What is the InChIKey of 2-[di(propan-2-yloxy)methyl]oxirane?
The InChIKey is YKXTYBHIHIBGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3/c1-6(2)11-9(8-5-10-8)12-7(3)4/h6-9H,5H2,1-4H3.
What are the key properties of 2-[di(propan-2-yloxy)methyl]oxirane?
2-[di(propan-2-yloxy)methyl]oxirane has a molecular weight of 174.24 g/mol, XLogP of 1.56, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[di(propan-2-yloxy)methyl]oxirane is sourced from PubChem (CID 91432286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).