2-[(5,5,8,8-tetramethylcycloocta-1,3,6-trien-1-yl)oxymethyl]oxirane

C15H22O2 — CID 91156144

IUPAC2-[(5,5,8,8-tetramethylcycloocta-1,3,6-trien-1-yl)oxymethyl]oxirane
SMILESCC1(C)C=CC=C(OCC2CO2)C(C)(C)C=C1
InChIInChI=1S/C15H22O2/c1-14(2)7-5-6-13(15(3,4)9-8-14)17-11-12-10-16-12/h5-9,12H,10-11H2,1-4H3
InChIKeyICZGAAOGWIXOHY-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.46
Rot. Bonds3

About 2-[(5,5,8,8-tetramethylcycloocta-1,3,6-trien-1-yl)oxymethyl]oxirane

2-[(5,5,8,8-tetramethylcycloocta-1,3,6-trien-1-yl)oxymethyl]oxirane (PubChem CID 91156144) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-[(5,5,8,8-tetramethylcycloocta-1,3,6-trien-1-yl)oxymethyl]oxirane.

Molecular Properties

Compound Name2-[(5,5,8,8-tetramethylcycloocta-1,3,6-trien-1-yl)oxymethyl]oxirane
PubChem CID91156144
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name2-[(5,5,8,8-tetramethylcycloocta-1,3,6-trien-1-yl)oxymethyl]oxirane
SMILESCC1(C)C=CC=C(OCC2CO2)C(C)(C)C=C1
InChIInChI=1S/C15H22O2/c1-14(2)7-5-6-13(15(3,4)9-8-14)17-11-12-10-16-12/h5-9,12H,10-11H2,1-4H3
InChIKeyICZGAAOGWIXOHY-UHFFFAOYSA-N
XLogP3.46
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(5,5,8,8-tetramethylcycloocta-1,3,6-trien-1-yl)oxymethyl]oxirane?
The IUPAC name of 2-[(5,5,8,8-tetramethylcycloocta-1,3,6-trien-1-yl)oxymethyl]oxirane (CID 91156144) is 2-[(5,5,8,8-tetramethylcycloocta-1,3,6-trien-1-yl)oxymethyl]oxirane.
What is the SMILES notation for 2-[(5,5,8,8-tetramethylcycloocta-1,3,6-trien-1-yl)oxymethyl]oxirane?
The canonical SMILES for 2-[(5,5,8,8-tetramethylcycloocta-1,3,6-trien-1-yl)oxymethyl]oxirane is CC1(C)C=CC=C(OCC2CO2)C(C)(C)C=C1.
What is the InChIKey of 2-[(5,5,8,8-tetramethylcycloocta-1,3,6-trien-1-yl)oxymethyl]oxirane?
The InChIKey is ICZGAAOGWIXOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-14(2)7-5-6-13(15(3,4)9-8-14)17-11-12-10-16-12/h5-9,12H,10-11H2,1-4H3.
What are the key properties of 2-[(5,5,8,8-tetramethylcycloocta-1,3,6-trien-1-yl)oxymethyl]oxirane?
2-[(5,5,8,8-tetramethylcycloocta-1,3,6-trien-1-yl)oxymethyl]oxirane has a molecular weight of 234.34 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,5,8,8-tetramethylcycloocta-1,3,6-trien-1-yl)oxymethyl]oxirane is sourced from PubChem (CID 91156144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).