2-[(7-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl)oxymethyl]oxirane

C11H14O2 — CID 145353951

IUPAC2-[(7-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl)oxymethyl]oxirane
SMILESCC1C2C=CC=C(OCC3CO3)C12
InChIInChI=1S/C11H14O2/c1-7-9-3-2-4-10(11(7)9)13-6-8-5-12-8/h2-4,7-9,11H,5-6H2,1H3
InChIKeySCXIXNNDAFWEBB-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.74
Rot. Bonds3

About 2-[(7-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl)oxymethyl]oxirane

2-[(7-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl)oxymethyl]oxirane (PubChem CID 145353951) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 2-[(7-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl)oxymethyl]oxirane.

Molecular Properties

Compound Name2-[(7-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl)oxymethyl]oxirane
PubChem CID145353951
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name2-[(7-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl)oxymethyl]oxirane
SMILESCC1C2C=CC=C(OCC3CO3)C12
InChIInChI=1S/C11H14O2/c1-7-9-3-2-4-10(11(7)9)13-6-8-5-12-8/h2-4,7-9,11H,5-6H2,1H3
InChIKeySCXIXNNDAFWEBB-UHFFFAOYSA-N
XLogP1.74
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.74
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-[(7-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl)oxymethyl]oxirane?
The IUPAC name of 2-[(7-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl)oxymethyl]oxirane (CID 145353951) is 2-[(7-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl)oxymethyl]oxirane.
What is the SMILES notation for 2-[(7-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl)oxymethyl]oxirane?
The canonical SMILES for 2-[(7-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl)oxymethyl]oxirane is CC1C2C=CC=C(OCC3CO3)C12.
What is the InChIKey of 2-[(7-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl)oxymethyl]oxirane?
The InChIKey is SCXIXNNDAFWEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-7-9-3-2-4-10(11(7)9)13-6-8-5-12-8/h2-4,7-9,11H,5-6H2,1H3.
What are the key properties of 2-[(7-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl)oxymethyl]oxirane?
2-[(7-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl)oxymethyl]oxirane has a molecular weight of 178.23 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl)oxymethyl]oxirane is sourced from PubChem (CID 145353951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).