2-(oxiran-2-ylmethoxymethyl)oxirane;tricyclo[5.2.1.02,6]deca-3,8-diene

C16H22O3 — CID 23124038

IUPAC2-(oxiran-2-ylmethoxymethyl)oxirane;tricyclo[5.2.1.02,6]deca-3,8-diene
SMILESC(OCC1CO1)C1CO1.C1=CC2C3C=CC(C3)C2C1
InChIInChI=1S/C10H12.C6H10O3/c1-2-9-7-4-5-8(6-7)10(9)3-1;1(5-3-8-5)7-2-6-4-9-6/h1-2,4-5,7-10H,3,6H2;5-6H,1-4H2
InChIKeyJQZFQDDRIKMYFI-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.19
Rot. Bonds4

About 2-(oxiran-2-ylmethoxymethyl)oxirane;tricyclo[5.2.1.02,6]deca-3,8-diene

2-(oxiran-2-ylmethoxymethyl)oxirane;tricyclo[5.2.1.02,6]deca-3,8-diene (PubChem CID 23124038) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-(oxiran-2-ylmethoxymethyl)oxirane;tricyclo[5.2.1.02,6]deca-3,8-diene.

Molecular Properties

Compound Name2-(oxiran-2-ylmethoxymethyl)oxirane;tricyclo[5.2.1.02,6]deca-3,8-diene
PubChem CID23124038
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name2-(oxiran-2-ylmethoxymethyl)oxirane;tricyclo[5.2.1.02,6]deca-3,8-diene
SMILESC(OCC1CO1)C1CO1.C1=CC2C3C=CC(C3)C2C1
InChIInChI=1S/C10H12.C6H10O3/c1-2-9-7-4-5-8(6-7)10(9)3-1;1(5-3-8-5)7-2-6-4-9-6/h1-2,4-5,7-10H,3,6H2;5-6H,1-4H2
InChIKeyJQZFQDDRIKMYFI-UHFFFAOYSA-N
XLogP2.19
TPSA34.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methanol;2-(oxiran-2-ylmethoxymethyl)oxirane;tricyclo[5.2.1.02,6]deca-3,8-diene
CID 118535993
(1R,2R,6R,7S)-tricyclo[5.2.1.02,6]deca-3,8-diene
CID 45356248
tricyclo[5.2.1.02,6]deca-3,8-diene;zirconium
CID 173155873
1,1'-biphenyl;tricyclo[5.2.1.02,6]deca-3,8-diene
CID 173347258
2-(oxiran-2-ylmethoxymethyl)oxirane;oxophosphane
CID 22290133
methane;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 167637417
4,5-dihydro-1,3-thiazole;tricyclo[5.2.1.02,6]deca-3,8-diene
CID 174828034
2-(oxiran-2-ylmethoxymethyl)oxirane;thiirene
CID 88761424
cyclopentane;ethane-1,2-diol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 88518341
2-(oxiran-2-ylmethoxymethyl)oxirane diazide
CID 175700488
2-(oxiran-2-ylmethoxymethyl)oxirane;sulfur trioxide
CID 87769776
(2R)-2-[[4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methoxymethyl]oxirane
CID 88922210

Frequently Asked Questions

What is the IUPAC name of 2-(oxiran-2-ylmethoxymethyl)oxirane;tricyclo[5.2.1.02,6]deca-3,8-diene?
The IUPAC name of 2-(oxiran-2-ylmethoxymethyl)oxirane;tricyclo[5.2.1.02,6]deca-3,8-diene (CID 23124038) is 2-(oxiran-2-ylmethoxymethyl)oxirane;tricyclo[5.2.1.02,6]deca-3,8-diene.
What is the SMILES notation for 2-(oxiran-2-ylmethoxymethyl)oxirane;tricyclo[5.2.1.02,6]deca-3,8-diene?
The canonical SMILES for 2-(oxiran-2-ylmethoxymethyl)oxirane;tricyclo[5.2.1.02,6]deca-3,8-diene is C(OCC1CO1)C1CO1.C1=CC2C3C=CC(C3)C2C1.
What is the InChIKey of 2-(oxiran-2-ylmethoxymethyl)oxirane;tricyclo[5.2.1.02,6]deca-3,8-diene?
The InChIKey is JQZFQDDRIKMYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12.C6H10O3/c1-2-9-7-4-5-8(6-7)10(9)3-1;1(5-3-8-5)7-2-6-4-9-6/h1-2,4-5,7-10H,3,6H2;5-6H,1-4H2.
What are the key properties of 2-(oxiran-2-ylmethoxymethyl)oxirane;tricyclo[5.2.1.02,6]deca-3,8-diene?
2-(oxiran-2-ylmethoxymethyl)oxirane;tricyclo[5.2.1.02,6]deca-3,8-diene has a molecular weight of 262.35 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxiran-2-ylmethoxymethyl)oxirane;tricyclo[5.2.1.02,6]deca-3,8-diene is sourced from PubChem (CID 23124038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).