2-methyl-3,6-bis(oxiran-2-yl)oxane

C10H16O3 — CID 139728258

IUPAC2-methyl-3,6-bis(oxiran-2-yl)oxane
SMILESCC1OC(C2CO2)CCC1C1CO1
InChIInChI=1S/C10H16O3/c1-6-7(9-4-11-9)2-3-8(13-6)10-5-12-10/h6-10H,2-5H2,1H3
InChIKeyNVTXAISDHWLOCU-UHFFFAOYSA-N
MW184.23 g/mol
LogP0.97
Rot. Bonds2

About 2-methyl-3,6-bis(oxiran-2-yl)oxane

2-methyl-3,6-bis(oxiran-2-yl)oxane (PubChem CID 139728258) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 2-methyl-3,6-bis(oxiran-2-yl)oxane.

Molecular Properties

Compound Name2-methyl-3,6-bis(oxiran-2-yl)oxane
PubChem CID139728258
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name2-methyl-3,6-bis(oxiran-2-yl)oxane
SMILESCC1OC(C2CO2)CCC1C1CO1
InChIInChI=1S/C10H16O3/c1-6-7(9-4-11-9)2-3-8(13-6)10-5-12-10/h6-10H,2-5H2,1H3
InChIKeyNVTXAISDHWLOCU-UHFFFAOYSA-N
XLogP0.97
TPSA34.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 50.97
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-methyl-3,6-bis(oxiran-2-yl)oxane?
The IUPAC name of 2-methyl-3,6-bis(oxiran-2-yl)oxane (CID 139728258) is 2-methyl-3,6-bis(oxiran-2-yl)oxane.
What is the SMILES notation for 2-methyl-3,6-bis(oxiran-2-yl)oxane?
The canonical SMILES for 2-methyl-3,6-bis(oxiran-2-yl)oxane is CC1OC(C2CO2)CCC1C1CO1.
What is the InChIKey of 2-methyl-3,6-bis(oxiran-2-yl)oxane?
The InChIKey is NVTXAISDHWLOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-6-7(9-4-11-9)2-3-8(13-6)10-5-12-10/h6-10H,2-5H2,1H3.
What are the key properties of 2-methyl-3,6-bis(oxiran-2-yl)oxane?
2-methyl-3,6-bis(oxiran-2-yl)oxane has a molecular weight of 184.23 g/mol, XLogP of 0.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3,6-bis(oxiran-2-yl)oxane is sourced from PubChem (CID 139728258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).