2-[2-methyl-3-(oxiran-2-yl)propyl]oxirane

C8H14O2 — CID 21133451

IUPAC2-[2-methyl-3-(oxiran-2-yl)propyl]oxirane
SMILESCC(CC1CO1)CC1CO1
InChIInChI=1S/C8H14O2/c1-6(2-7-4-9-7)3-8-5-10-8/h6-8H,2-5H2,1H3
InChIKeyVPXWVRMTAVIIKX-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.20
Rot. Bonds4

About 2-[2-methyl-3-(oxiran-2-yl)propyl]oxirane

2-[2-methyl-3-(oxiran-2-yl)propyl]oxirane (PubChem CID 21133451) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 2-[2-methyl-3-(oxiran-2-yl)propyl]oxirane.

Molecular Properties

Compound Name2-[2-methyl-3-(oxiran-2-yl)propyl]oxirane
PubChem CID21133451
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name2-[2-methyl-3-(oxiran-2-yl)propyl]oxirane
SMILESCC(CC1CO1)CC1CO1
InChIInChI=1S/C8H14O2/c1-6(2-7-4-9-7)3-8-5-10-8/h6-8H,2-5H2,1H3
InChIKeyVPXWVRMTAVIIKX-UHFFFAOYSA-N
XLogP1.20
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-methyl-3-(oxiran-2-yl)propyl]oxirane?
The IUPAC name of 2-[2-methyl-3-(oxiran-2-yl)propyl]oxirane (CID 21133451) is 2-[2-methyl-3-(oxiran-2-yl)propyl]oxirane.
What is the SMILES notation for 2-[2-methyl-3-(oxiran-2-yl)propyl]oxirane?
The canonical SMILES for 2-[2-methyl-3-(oxiran-2-yl)propyl]oxirane is CC(CC1CO1)CC1CO1.
What is the InChIKey of 2-[2-methyl-3-(oxiran-2-yl)propyl]oxirane?
The InChIKey is VPXWVRMTAVIIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-6(2-7-4-9-7)3-8-5-10-8/h6-8H,2-5H2,1H3.
What are the key properties of 2-[2-methyl-3-(oxiran-2-yl)propyl]oxirane?
2-[2-methyl-3-(oxiran-2-yl)propyl]oxirane has a molecular weight of 142.20 g/mol, XLogP of 1.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-3-(oxiran-2-yl)propyl]oxirane is sourced from PubChem (CID 21133451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).