2-(3-bicyclo[4.2.0]octa-1(6),2,4-trienylmethoxymethyl)oxirane

C12H14O2 — CID 167171988

IUPAC2-(3-bicyclo[4.2.0]octa-1(6),2,4-trienylmethoxymethyl)oxirane
SMILESc1cc2c(cc1COCC1CO1)CC2
InChIInChI=1S/C12H14O2/c1-2-10-3-4-11(10)5-9(1)6-13-7-12-8-14-12/h1-2,5,12H,3-4,6-8H2
InChIKeyXSQNWIMTQMUFIE-UHFFFAOYSA-N
MW190.24 g/mol
LogP1.70
Rot. Bonds4

About 2-(3-bicyclo[4.2.0]octa-1(6),2,4-trienylmethoxymethyl)oxirane

2-(3-bicyclo[4.2.0]octa-1(6),2,4-trienylmethoxymethyl)oxirane (PubChem CID 167171988) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 2-(3-bicyclo[4.2.0]octa-1(6),2,4-trienylmethoxymethyl)oxirane.

Molecular Properties

Compound Name2-(3-bicyclo[4.2.0]octa-1(6),2,4-trienylmethoxymethyl)oxirane
PubChem CID167171988
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name2-(3-bicyclo[4.2.0]octa-1(6),2,4-trienylmethoxymethyl)oxirane
SMILESc1cc2c(cc1COCC1CO1)CC2
InChIInChI=1S/C12H14O2/c1-2-10-3-4-11(10)5-9(1)6-13-7-12-8-14-12/h1-2,5,12H,3-4,6-8H2
InChIKeyXSQNWIMTQMUFIE-UHFFFAOYSA-N
XLogP1.70
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 51.70
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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Related Compounds

(+)-Benzyl glycidyl ether
CID 146296
(-)-Benzyl (R)-glycidyl ether
CID 159746
3,4-Dimethylstyrene oxide
CID 159631
Benzyl glycidyl ether
CID 94247
1-Naphthylmethyl glycidyl ether
CID 149403
2-(4-Ethenylphenyl)oxirane
CID 112040
2-(2,4-Dimethylphenyl)oxirane
CID 15203042
2-[4-Methyl-3-(trifluoromethyl)phenyl]oxirane
CID 139822692
4-Vinylbenzyl glycidyl ether
CID 11830219
7-Ethoxybicyclo[4.2.0]octa-1,3,5-triene
CID 287160
Oxirane, 2-(methoxymethyl)-3-phenyl-, (2S,3S)-
CID 11309704
2-[[1,1,1,3,3,3-Hexafluoro-2-[3-(trifluoromethyl)phenyl]propan-2-yl]oxymethyl]oxirane
CID 328872

Frequently Asked Questions

What is the IUPAC name of 2-(3-bicyclo[4.2.0]octa-1(6),2,4-trienylmethoxymethyl)oxirane?
The IUPAC name of 2-(3-bicyclo[4.2.0]octa-1(6),2,4-trienylmethoxymethyl)oxirane (CID 167171988) is 2-(3-bicyclo[4.2.0]octa-1(6),2,4-trienylmethoxymethyl)oxirane.
What is the SMILES notation for 2-(3-bicyclo[4.2.0]octa-1(6),2,4-trienylmethoxymethyl)oxirane?
The canonical SMILES for 2-(3-bicyclo[4.2.0]octa-1(6),2,4-trienylmethoxymethyl)oxirane is c1cc2c(cc1COCC1CO1)CC2.
What is the InChIKey of 2-(3-bicyclo[4.2.0]octa-1(6),2,4-trienylmethoxymethyl)oxirane?
The InChIKey is XSQNWIMTQMUFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-2-10-3-4-11(10)5-9(1)6-13-7-12-8-14-12/h1-2,5,12H,3-4,6-8H2.
What are the key properties of 2-(3-bicyclo[4.2.0]octa-1(6),2,4-trienylmethoxymethyl)oxirane?
2-(3-bicyclo[4.2.0]octa-1(6),2,4-trienylmethoxymethyl)oxirane has a molecular weight of 190.24 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bicyclo[4.2.0]octa-1(6),2,4-trienylmethoxymethyl)oxirane is sourced from PubChem (CID 167171988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).