ethoxyethane;2-octylphenol

C18H32O2 — CID 66605620

IUPACethoxyethane;2-octylphenol
SMILESCCCCCCCCc1ccccc1O.CCOCC
InChIInChI=1S/C14H22O.C4H10O/c1-2-3-4-5-6-7-10-13-11-8-9-12-14(13)15;1-3-5-4-2/h8-9,11-12,15H,2-7,10H2,1H3;3-4H2,1-2H3
InChIKeyRAUIDPSRWGVMGE-UHFFFAOYSA-N
MW280.45 g/mol
LogP5.34
Rot. Bonds9

About ethoxyethane;2-octylphenol

ethoxyethane;2-octylphenol (PubChem CID 66605620) has the molecular formula C18H32O2 and a molecular weight of 280.45 g/mol. Its IUPAC name is ethoxyethane;2-octylphenol.

Molecular Properties

Compound Nameethoxyethane;2-octylphenol
PubChem CID66605620
Molecular FormulaC18H32O2
Molecular Weight280.45 g/mol
Exact Mass280.24
IUPAC Nameethoxyethane;2-octylphenol
SMILESCCCCCCCCc1ccccc1O.CCOCC
InChIInChI=1S/C14H22O.C4H10O/c1-2-3-4-5-6-7-10-13-11-8-9-12-14(13)15;1-3-5-4-2/h8-9,11-12,15H,2-7,10H2,1H3;3-4H2,1-2H3
InChIKeyRAUIDPSRWGVMGE-UHFFFAOYSA-N
XLogP5.34
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.45
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-dodecylphenol
CID 160834917
CID 158595082
CID 158595082
2-octylphenol;tungsten
CID 157237523
CID 69025009
CID 69025009
lithium;2-dodecylphenol;hydride
CID 174657819
ethene;2-nonylphenol
CID 66616289
disodium;hydride;2-nonylphenol
CID 175531956
2-decylphenol;hydrazine
CID 159983030
formaldehyde;2-octadecylphenol
CID 67830879
formaldehyde;2-nonylphenol;2-octylphenol
CID 175344349
tris(2-nonylphenol);phosphite
CID 21116114
carbonic acid;bis(2-nonylphenol)
CID 69221300

Frequently Asked Questions

What is the IUPAC name of ethoxyethane;2-octylphenol?
The IUPAC name of ethoxyethane;2-octylphenol (CID 66605620) is ethoxyethane;2-octylphenol.
What is the SMILES notation for ethoxyethane;2-octylphenol?
The canonical SMILES for ethoxyethane;2-octylphenol is CCCCCCCCc1ccccc1O.CCOCC.
What is the InChIKey of ethoxyethane;2-octylphenol?
The InChIKey is RAUIDPSRWGVMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O.C4H10O/c1-2-3-4-5-6-7-10-13-11-8-9-12-14(13)15;1-3-5-4-2/h8-9,11-12,15H,2-7,10H2,1H3;3-4H2,1-2H3.
What are the key properties of ethoxyethane;2-octylphenol?
ethoxyethane;2-octylphenol has a molecular weight of 280.45 g/mol, XLogP of 5.34, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyethane;2-octylphenol is sourced from PubChem (CID 66605620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).