sodium;ethoxyethane;hydride;2-prop-2-enylphenol

C13H21NaO2 — CID 173000215

IUPACsodium;ethoxyethane;hydride;2-prop-2-enylphenol
SMILESC=CCc1ccccc1O.CCOCC.[H-].[Na+]
InChIInChI=1S/C9H10O.C4H10O.Na.H/c1-2-5-8-6-3-4-7-9(8)10;1-3-5-4-2;;/h2-4,6-7,10H,1,5H2;3-4H2,1-2H3;;/q;;+1;-1
InChIKeyXUYMECIJDVLJHI-UHFFFAOYSA-N
MW232.30 g/mol
LogP0.28
Rot. Bonds4

About sodium;ethoxyethane;hydride;2-prop-2-enylphenol

sodium;ethoxyethane;hydride;2-prop-2-enylphenol (PubChem CID 173000215) has the molecular formula C13H21NaO2 and a molecular weight of 232.30 g/mol. Its IUPAC name is sodium;ethoxyethane;hydride;2-prop-2-enylphenol.

Molecular Properties

Compound Namesodium;ethoxyethane;hydride;2-prop-2-enylphenol
PubChem CID173000215
Molecular FormulaC13H21NaO2
Molecular Weight232.30 g/mol
Exact Mass232.14
IUPAC Namesodium;ethoxyethane;hydride;2-prop-2-enylphenol
SMILESC=CCc1ccccc1O.CCOCC.[H-].[Na+]
InChIInChI=1S/C9H10O.C4H10O.Na.H/c1-2-5-8-6-3-4-7-9(8)10;1-3-5-4-2;;/h2-4,6-7,10H,1,5H2;3-4H2,1-2H3;;/q;;+1;-1
InChIKeyXUYMECIJDVLJHI-UHFFFAOYSA-N
XLogP0.28
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium;ethoxyethane;hydride;2-prop-2-enylphenol?
The IUPAC name of sodium;ethoxyethane;hydride;2-prop-2-enylphenol (CID 173000215) is sodium;ethoxyethane;hydride;2-prop-2-enylphenol.
What is the SMILES notation for sodium;ethoxyethane;hydride;2-prop-2-enylphenol?
The canonical SMILES for sodium;ethoxyethane;hydride;2-prop-2-enylphenol is C=CCc1ccccc1O.CCOCC.[H-].[Na+].
What is the InChIKey of sodium;ethoxyethane;hydride;2-prop-2-enylphenol?
The InChIKey is XUYMECIJDVLJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O.C4H10O.Na.H/c1-2-5-8-6-3-4-7-9(8)10;1-3-5-4-2;;/h2-4,6-7,10H,1,5H2;3-4H2,1-2H3;;/q;;+1;-1.
What are the key properties of sodium;ethoxyethane;hydride;2-prop-2-enylphenol?
sodium;ethoxyethane;hydride;2-prop-2-enylphenol has a molecular weight of 232.30 g/mol, XLogP of 0.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;ethoxyethane;hydride;2-prop-2-enylphenol is sourced from PubChem (CID 173000215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).