2-[(2Z)-cyclooct-2-en-1-yl]-3-methyl-2-phenyloxirane

C17H22O — CID 56954055

IUPAC2-[(2Z)-cyclooct-2-en-1-yl]-3-methyl-2-phenyloxirane
SMILESCC1OC1(c1ccccc1)C1/C=C\CCCCC1
InChIInChI=1S/C17H22O/c1-14-17(18-14,16-12-8-5-9-13-16)15-10-6-3-2-4-7-11-15/h5-6,8-10,12-15H,2-4,7,11H2,1H3/b10-6-
InChIKeyZOSCDHWRLHYWFR-POHAHGRESA-N
MW242.36 g/mol
LogP4.44
Rot. Bonds2

About 2-[(2Z)-cyclooct-2-en-1-yl]-3-methyl-2-phenyloxirane

2-[(2Z)-cyclooct-2-en-1-yl]-3-methyl-2-phenyloxirane (PubChem CID 56954055) has the molecular formula C17H22O and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-[(2Z)-cyclooct-2-en-1-yl]-3-methyl-2-phenyloxirane.

Molecular Properties

Compound Name2-[(2Z)-cyclooct-2-en-1-yl]-3-methyl-2-phenyloxirane
PubChem CID56954055
Molecular FormulaC17H22O
Molecular Weight242.36 g/mol
Exact Mass242.17
IUPAC Name2-[(2Z)-cyclooct-2-en-1-yl]-3-methyl-2-phenyloxirane
SMILESCC1OC1(c1ccccc1)C1/C=C\CCCCC1
InChIInChI=1S/C17H22O/c1-14-17(18-14,16-12-8-5-9-13-16)15-10-6-3-2-4-7-11-15/h5-6,8-10,12-15H,2-4,7,11H2,1H3/b10-6-
InChIKeyZOSCDHWRLHYWFR-POHAHGRESA-N
XLogP4.44
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-[(2Z)-cyclooct-2-en-1-yl]-3-methyl-2-phenyloxirane?
The IUPAC name of 2-[(2Z)-cyclooct-2-en-1-yl]-3-methyl-2-phenyloxirane (CID 56954055) is 2-[(2Z)-cyclooct-2-en-1-yl]-3-methyl-2-phenyloxirane.
What is the SMILES notation for 2-[(2Z)-cyclooct-2-en-1-yl]-3-methyl-2-phenyloxirane?
The canonical SMILES for 2-[(2Z)-cyclooct-2-en-1-yl]-3-methyl-2-phenyloxirane is CC1OC1(c1ccccc1)C1/C=C\CCCCC1.
What is the InChIKey of 2-[(2Z)-cyclooct-2-en-1-yl]-3-methyl-2-phenyloxirane?
The InChIKey is ZOSCDHWRLHYWFR-POHAHGRESA-N. The full InChI is InChI=1S/C17H22O/c1-14-17(18-14,16-12-8-5-9-13-16)15-10-6-3-2-4-7-11-15/h5-6,8-10,12-15H,2-4,7,11H2,1H3/b10-6-.
What are the key properties of 2-[(2Z)-cyclooct-2-en-1-yl]-3-methyl-2-phenyloxirane?
2-[(2Z)-cyclooct-2-en-1-yl]-3-methyl-2-phenyloxirane has a molecular weight of 242.36 g/mol, XLogP of 4.44, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z)-cyclooct-2-en-1-yl]-3-methyl-2-phenyloxirane is sourced from PubChem (CID 56954055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).