2-[(4-hept-6-enylphenoxy)methyl]oxirane

C16H22O2 — CID 101312510

IUPAC2-[(4-hept-6-enylphenoxy)methyl]oxirane
SMILESC=CCCCCCc1ccc(OCC2CO2)cc1
InChIInChI=1S/C16H22O2/c1-2-3-4-5-6-7-14-8-10-15(11-9-14)17-12-16-13-18-16/h2,8-11,16H,1,3-7,12-13H2
InChIKeyJNNINITUSMKZHZ-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.75
Rot. Bonds9

About 2-[(4-hept-6-enylphenoxy)methyl]oxirane

2-[(4-hept-6-enylphenoxy)methyl]oxirane (PubChem CID 101312510) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-[(4-hept-6-enylphenoxy)methyl]oxirane.

Molecular Properties

Compound Name2-[(4-hept-6-enylphenoxy)methyl]oxirane
PubChem CID101312510
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name2-[(4-hept-6-enylphenoxy)methyl]oxirane
SMILESC=CCCCCCc1ccc(OCC2CO2)cc1
InChIInChI=1S/C16H22O2/c1-2-3-4-5-6-7-14-8-10-15(11-9-14)17-12-16-13-18-16/h2,8-11,16H,1,3-7,12-13H2
InChIKeyJNNINITUSMKZHZ-UHFFFAOYSA-N
XLogP3.75
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.75
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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Related Compounds

2-[(3-tetradec-13-enylphenoxy)methyl]oxirane
CID 101312896
2-[[4-[(E)-octadec-15-enyl]phenoxy]methyl]oxirane
CID 101313265
2-[[4-[(E)-pentadec-13-enyl]phenoxy]methyl]oxirane
CID 101312987
2-[[4-[(E)-heptadec-11-enyl]phenoxy]methyl]oxirane
CID 101313163
2-[(4-decylphenoxy)methyl]oxirane
CID 57169854
2-[(4-but-3-enoxyphenoxy)methyl]oxirane
CID 57158633
2-[(2-non-8-enylphenoxy)methyl]oxirane
CID 101312578
trimethoxy-[4-[4-(oxiran-2-ylmethoxy)phenyl]butyl]silane
CID 139921264
(2S)-2-[[4-[[(2S)-oxiran-2-yl]methoxy]phenoxy]methyl]oxirane
CID 677176
CID 59015330
CID 59015330
4-[4-(oxiran-2-ylmethoxy)phenyl]butanoic acid
CID 175189091
trimethoxy-[3-[4-(oxiran-2-ylmethoxy)phenyl]propyl]silane
CID 139921283

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hept-6-enylphenoxy)methyl]oxirane?
The IUPAC name of 2-[(4-hept-6-enylphenoxy)methyl]oxirane (CID 101312510) is 2-[(4-hept-6-enylphenoxy)methyl]oxirane.
What is the SMILES notation for 2-[(4-hept-6-enylphenoxy)methyl]oxirane?
The canonical SMILES for 2-[(4-hept-6-enylphenoxy)methyl]oxirane is C=CCCCCCc1ccc(OCC2CO2)cc1.
What is the InChIKey of 2-[(4-hept-6-enylphenoxy)methyl]oxirane?
The InChIKey is JNNINITUSMKZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2/c1-2-3-4-5-6-7-14-8-10-15(11-9-14)17-12-16-13-18-16/h2,8-11,16H,1,3-7,12-13H2.
What are the key properties of 2-[(4-hept-6-enylphenoxy)methyl]oxirane?
2-[(4-hept-6-enylphenoxy)methyl]oxirane has a molecular weight of 246.35 g/mol, XLogP of 3.75, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hept-6-enylphenoxy)methyl]oxirane is sourced from PubChem (CID 101312510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).