2-[(4-decylphenoxy)methyl]oxirane

C19H30O2 — CID 57169854

IUPAC2-[(4-decylphenoxy)methyl]oxirane
SMILESCCCCCCCCCCc1ccc(OCC2CO2)cc1
InChIInChI=1S/C19H30O2/c1-2-3-4-5-6-7-8-9-10-17-11-13-18(14-12-17)20-15-19-16-21-19/h11-14,19H,2-10,15-16H2,1H3
InChIKeyRCNLGFWARUNJGK-UHFFFAOYSA-N
MW290.45 g/mol
LogP5.15
Rot. Bonds12

About 2-[(4-decylphenoxy)methyl]oxirane

2-[(4-decylphenoxy)methyl]oxirane (PubChem CID 57169854) has the molecular formula C19H30O2 and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-[(4-decylphenoxy)methyl]oxirane.

Molecular Properties

Compound Name2-[(4-decylphenoxy)methyl]oxirane
PubChem CID57169854
Molecular FormulaC19H30O2
Molecular Weight290.45 g/mol
Exact Mass290.22
IUPAC Name2-[(4-decylphenoxy)methyl]oxirane
SMILESCCCCCCCCCCc1ccc(OCC2CO2)cc1
InChIInChI=1S/C19H30O2/c1-2-3-4-5-6-7-8-9-10-17-11-13-18(14-12-17)20-15-19-16-21-19/h11-14,19H,2-10,15-16H2,1H3
InChIKeyRCNLGFWARUNJGK-UHFFFAOYSA-N
XLogP5.15
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.45
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[4-[(E)-heptadec-11-enyl]phenoxy]methyl]oxirane
CID 101313163
2-[[4-[(E)-octadec-15-enyl]phenoxy]methyl]oxirane
CID 101313265
2-[[4-[(E)-pentadec-13-enyl]phenoxy]methyl]oxirane
CID 101312987
2-[(4-hept-6-enylphenoxy)methyl]oxirane
CID 101312510
trimethoxy-[4-[4-(oxiran-2-ylmethoxy)phenyl]butyl]silane
CID 139921264
trimethoxy-[3-[4-(oxiran-2-ylmethoxy)phenyl]propyl]silane
CID 139921283
2-[[2-dodecyl-4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane
CID 141160352
2-[[2-nonyl-4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane
CID 150990294
ethane;2-[(4-ethylphenoxy)methyl]oxirane
CID 156746927
2-[2-(4-pentoxyphenyl)ethyl]oxirane
CID 83932604
(2S)-2-[[4-[[(2S)-oxiran-2-yl]methoxy]phenoxy]methyl]oxirane
CID 677176
2-[[3-[(E)-heptadec-6-enyl]phenoxy]methyl]oxirane
CID 101313142

Frequently Asked Questions

What is the IUPAC name of 2-[(4-decylphenoxy)methyl]oxirane?
The IUPAC name of 2-[(4-decylphenoxy)methyl]oxirane (CID 57169854) is 2-[(4-decylphenoxy)methyl]oxirane.
What is the SMILES notation for 2-[(4-decylphenoxy)methyl]oxirane?
The canonical SMILES for 2-[(4-decylphenoxy)methyl]oxirane is CCCCCCCCCCc1ccc(OCC2CO2)cc1.
What is the InChIKey of 2-[(4-decylphenoxy)methyl]oxirane?
The InChIKey is RCNLGFWARUNJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O2/c1-2-3-4-5-6-7-8-9-10-17-11-13-18(14-12-17)20-15-19-16-21-19/h11-14,19H,2-10,15-16H2,1H3.
What are the key properties of 2-[(4-decylphenoxy)methyl]oxirane?
2-[(4-decylphenoxy)methyl]oxirane has a molecular weight of 290.45 g/mol, XLogP of 5.15, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-decylphenoxy)methyl]oxirane is sourced from PubChem (CID 57169854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).