2-[2-[1-(oxiran-2-yl)propan-2-yloxy]propyl]oxirane

C10H18O3 — CID 22034985

IUPAC2-[2-[1-(oxiran-2-yl)propan-2-yloxy]propyl]oxirane
SMILESCC(CC1CO1)OC(C)CC1CO1
InChIInChI=1S/C10H18O3/c1-7(3-9-5-11-9)13-8(2)4-10-6-12-10/h7-10H,3-6H2,1-2H3
InChIKeyJHVUKCLMCANOSU-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.36
Rot. Bonds6

About 2-[2-[1-(oxiran-2-yl)propan-2-yloxy]propyl]oxirane

2-[2-[1-(oxiran-2-yl)propan-2-yloxy]propyl]oxirane (PubChem CID 22034985) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-[2-[1-(oxiran-2-yl)propan-2-yloxy]propyl]oxirane.

Molecular Properties

Compound Name2-[2-[1-(oxiran-2-yl)propan-2-yloxy]propyl]oxirane
PubChem CID22034985
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name2-[2-[1-(oxiran-2-yl)propan-2-yloxy]propyl]oxirane
SMILESCC(CC1CO1)OC(C)CC1CO1
InChIInChI=1S/C10H18O3/c1-7(3-9-5-11-9)13-8(2)4-10-6-12-10/h7-10H,3-6H2,1-2H3
InChIKeyJHVUKCLMCANOSU-UHFFFAOYSA-N
XLogP1.36
TPSA34.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(oxiran-2-yl)propan-2-yloxy]propyl]oxirane?
The IUPAC name of 2-[2-[1-(oxiran-2-yl)propan-2-yloxy]propyl]oxirane (CID 22034985) is 2-[2-[1-(oxiran-2-yl)propan-2-yloxy]propyl]oxirane.
What is the SMILES notation for 2-[2-[1-(oxiran-2-yl)propan-2-yloxy]propyl]oxirane?
The canonical SMILES for 2-[2-[1-(oxiran-2-yl)propan-2-yloxy]propyl]oxirane is CC(CC1CO1)OC(C)CC1CO1.
What is the InChIKey of 2-[2-[1-(oxiran-2-yl)propan-2-yloxy]propyl]oxirane?
The InChIKey is JHVUKCLMCANOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-7(3-9-5-11-9)13-8(2)4-10-6-12-10/h7-10H,3-6H2,1-2H3.
What are the key properties of 2-[2-[1-(oxiran-2-yl)propan-2-yloxy]propyl]oxirane?
2-[2-[1-(oxiran-2-yl)propan-2-yloxy]propyl]oxirane has a molecular weight of 186.25 g/mol, XLogP of 1.36, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(oxiran-2-yl)propan-2-yloxy]propyl]oxirane is sourced from PubChem (CID 22034985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).