2-[bis(oxiran-2-yl)methyl]-3-methyloxirane

C8H12O3 — CID 57206185

IUPAC2-[bis(oxiran-2-yl)methyl]-3-methyloxirane
SMILESCC1OC1C(C1CO1)C1CO1
InChIInChI=1S/C8H12O3/c1-4-8(11-4)7(5-2-9-5)6-3-10-6/h4-8H,2-3H2,1H3
InChIKeyZVKOTPCTPURHHF-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.19
Rot. Bonds3

About 2-[bis(oxiran-2-yl)methyl]-3-methyloxirane

2-[bis(oxiran-2-yl)methyl]-3-methyloxirane (PubChem CID 57206185) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is 2-[bis(oxiran-2-yl)methyl]-3-methyloxirane.

Molecular Properties

Compound Name2-[bis(oxiran-2-yl)methyl]-3-methyloxirane
PubChem CID57206185
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name2-[bis(oxiran-2-yl)methyl]-3-methyloxirane
SMILESCC1OC1C(C1CO1)C1CO1
InChIInChI=1S/C8H12O3/c1-4-8(11-4)7(5-2-9-5)6-3-10-6/h4-8H,2-3H2,1H3
InChIKeyZVKOTPCTPURHHF-UHFFFAOYSA-N
XLogP0.19
TPSA37.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.19
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-[bis(oxiran-2-yl)methyl]-3-methyloxirane?
The IUPAC name of 2-[bis(oxiran-2-yl)methyl]-3-methyloxirane (CID 57206185) is 2-[bis(oxiran-2-yl)methyl]-3-methyloxirane.
What is the SMILES notation for 2-[bis(oxiran-2-yl)methyl]-3-methyloxirane?
The canonical SMILES for 2-[bis(oxiran-2-yl)methyl]-3-methyloxirane is CC1OC1C(C1CO1)C1CO1.
What is the InChIKey of 2-[bis(oxiran-2-yl)methyl]-3-methyloxirane?
The InChIKey is ZVKOTPCTPURHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c1-4-8(11-4)7(5-2-9-5)6-3-10-6/h4-8H,2-3H2,1H3.
What are the key properties of 2-[bis(oxiran-2-yl)methyl]-3-methyloxirane?
2-[bis(oxiran-2-yl)methyl]-3-methyloxirane has a molecular weight of 156.18 g/mol, XLogP of 0.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(oxiran-2-yl)methyl]-3-methyloxirane is sourced from PubChem (CID 57206185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).