2-[(2-non-8-enylphenoxy)methyl]oxirane

C18H26O2 — CID 101312578

IUPAC2-[(2-non-8-enylphenoxy)methyl]oxirane
SMILESC=CCCCCCCCc1ccccc1OCC1CO1
InChIInChI=1S/C18H26O2/c1-2-3-4-5-6-7-8-11-16-12-9-10-13-18(16)20-15-17-14-19-17/h2,9-10,12-13,17H,1,3-8,11,14-15H2
InChIKeyPSJNUWCAQLNXTK-UHFFFAOYSA-N
MW274.40 g/mol
LogP4.53
Rot. Bonds11

About 2-[(2-non-8-enylphenoxy)methyl]oxirane

2-[(2-non-8-enylphenoxy)methyl]oxirane (PubChem CID 101312578) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is 2-[(2-non-8-enylphenoxy)methyl]oxirane.

Molecular Properties

Compound Name2-[(2-non-8-enylphenoxy)methyl]oxirane
PubChem CID101312578
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Name2-[(2-non-8-enylphenoxy)methyl]oxirane
SMILESC=CCCCCCCCc1ccccc1OCC1CO1
InChIInChI=1S/C18H26O2/c1-2-3-4-5-6-7-8-11-16-12-9-10-13-18(16)20-15-17-14-19-17/h2,9-10,12-13,17H,1,3-8,11,14-15H2
InChIKeyPSJNUWCAQLNXTK-UHFFFAOYSA-N
XLogP4.53
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[(2-non-8-enylphenoxy)methyl]oxirane?
The IUPAC name of 2-[(2-non-8-enylphenoxy)methyl]oxirane (CID 101312578) is 2-[(2-non-8-enylphenoxy)methyl]oxirane.
What is the SMILES notation for 2-[(2-non-8-enylphenoxy)methyl]oxirane?
The canonical SMILES for 2-[(2-non-8-enylphenoxy)methyl]oxirane is C=CCCCCCCCc1ccccc1OCC1CO1.
What is the InChIKey of 2-[(2-non-8-enylphenoxy)methyl]oxirane?
The InChIKey is PSJNUWCAQLNXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O2/c1-2-3-4-5-6-7-8-11-16-12-9-10-13-18(16)20-15-17-14-19-17/h2,9-10,12-13,17H,1,3-8,11,14-15H2.
What are the key properties of 2-[(2-non-8-enylphenoxy)methyl]oxirane?
2-[(2-non-8-enylphenoxy)methyl]oxirane has a molecular weight of 274.40 g/mol, XLogP of 4.53, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-non-8-enylphenoxy)methyl]oxirane is sourced from PubChem (CID 101312578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).