1-ethoxy-2-nonylbenzene;2-(oxiran-2-ylmethoxymethyl)oxirane

C23H38O4 — CID 88512513

IUPAC1-ethoxy-2-nonylbenzene;2-(oxiran-2-ylmethoxymethyl)oxirane
SMILESC(OCC1CO1)C1CO1.CCCCCCCCCc1ccccc1OCC
InChIInChI=1S/C17H28O.C6H10O3/c1-3-5-6-7-8-9-10-13-16-14-11-12-15-17(16)18-4-2;1(5-3-8-5)7-2-6-4-9-6/h11-12,14-15H,3-10,13H2,1-2H3;5-6H,1-4H2
InChIKeyGNJMUQNQGXVIHG-UHFFFAOYSA-N
MW378.55 g/mol
LogP5.18
Rot. Bonds14

About 1-ethoxy-2-nonylbenzene;2-(oxiran-2-ylmethoxymethyl)oxirane

1-ethoxy-2-nonylbenzene;2-(oxiran-2-ylmethoxymethyl)oxirane (PubChem CID 88512513) has the molecular formula C23H38O4 and a molecular weight of 378.55 g/mol. Its IUPAC name is 1-ethoxy-2-nonylbenzene;2-(oxiran-2-ylmethoxymethyl)oxirane.

Molecular Properties

Compound Name1-ethoxy-2-nonylbenzene;2-(oxiran-2-ylmethoxymethyl)oxirane
PubChem CID88512513
Molecular FormulaC23H38O4
Molecular Weight378.55 g/mol
Exact Mass378.28
IUPAC Name1-ethoxy-2-nonylbenzene;2-(oxiran-2-ylmethoxymethyl)oxirane
SMILESC(OCC1CO1)C1CO1.CCCCCCCCCc1ccccc1OCC
InChIInChI=1S/C17H28O.C6H10O3/c1-3-5-6-7-8-9-10-13-16-14-11-12-15-17(16)18-4-2;1(5-3-8-5)7-2-6-4-9-6/h11-12,14-15H,3-10,13H2,1-2H3;5-6H,1-4H2
InChIKeyGNJMUQNQGXVIHG-UHFFFAOYSA-N
XLogP5.18
TPSA43.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.55
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

1-decyl-2-ethoxybenzene
CID 175243335
2-[[2-[(E)-octadec-12-enyl]phenoxy]methyl]oxirane
CID 101313228
2-[[2-[(E)-heptadec-11-enyl]phenoxy]methyl]oxirane
CID 101313131
ethane-1,2-diol;2-nonylphenol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 88792258
2-[[2-[(E)-tridec-9-enyl]phenoxy]methyl]oxirane
CID 101312807
1-heptyl-2-octadecoxybenzene
CID 139667653
1-octadecoxy-2-tridecylbenzene
CID 139667656
2-(oxiran-2-ylmethoxymethyl)oxirane;tetradecane
CID 87058991
methanol;2-(2-nonylphenoxy)oxirane
CID 88727067
2-[[2-dodecyl-4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane
CID 141160352
2-[[2-nonyl-4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane
CID 150990294
2-[(2-non-8-enylphenoxy)methyl]oxirane
CID 101312578

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2-nonylbenzene;2-(oxiran-2-ylmethoxymethyl)oxirane?
The IUPAC name of 1-ethoxy-2-nonylbenzene;2-(oxiran-2-ylmethoxymethyl)oxirane (CID 88512513) is 1-ethoxy-2-nonylbenzene;2-(oxiran-2-ylmethoxymethyl)oxirane.
What is the SMILES notation for 1-ethoxy-2-nonylbenzene;2-(oxiran-2-ylmethoxymethyl)oxirane?
The canonical SMILES for 1-ethoxy-2-nonylbenzene;2-(oxiran-2-ylmethoxymethyl)oxirane is C(OCC1CO1)C1CO1.CCCCCCCCCc1ccccc1OCC.
What is the InChIKey of 1-ethoxy-2-nonylbenzene;2-(oxiran-2-ylmethoxymethyl)oxirane?
The InChIKey is GNJMUQNQGXVIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O.C6H10O3/c1-3-5-6-7-8-9-10-13-16-14-11-12-15-17(16)18-4-2;1(5-3-8-5)7-2-6-4-9-6/h11-12,14-15H,3-10,13H2,1-2H3;5-6H,1-4H2.
What are the key properties of 1-ethoxy-2-nonylbenzene;2-(oxiran-2-ylmethoxymethyl)oxirane?
1-ethoxy-2-nonylbenzene;2-(oxiran-2-ylmethoxymethyl)oxirane has a molecular weight of 378.55 g/mol, XLogP of 5.18, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2-nonylbenzene;2-(oxiran-2-ylmethoxymethyl)oxirane is sourced from PubChem (CID 88512513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).