[1-(2-ethoxyethoxy)cyclobutyl]-trihydroxyphosphanium

C8H18O5P+ — CID 174404591

IUPAC[1-(2-ethoxyethoxy)cyclobutyl]-trihydroxyphosphanium
SMILESCCOCCOC1([P+](O)(O)O)CCC1
InChIInChI=1S/C8H18O5P/c1-2-12-6-7-13-8(4-3-5-8)14(9,10)11/h9-11H,2-7H2,1H3/q+1
InChIKeyDGLKGDQEEATQNT-UHFFFAOYSA-N
MW225.20 g/mol
LogP0.66
Rot. Bonds6

About [1-(2-ethoxyethoxy)cyclobutyl]-trihydroxyphosphanium

[1-(2-ethoxyethoxy)cyclobutyl]-trihydroxyphosphanium (PubChem CID 174404591) has the molecular formula C8H18O5P+ and a molecular weight of 225.20 g/mol. Its IUPAC name is [1-(2-ethoxyethoxy)cyclobutyl]-trihydroxyphosphanium.

Molecular Properties

Compound Name[1-(2-ethoxyethoxy)cyclobutyl]-trihydroxyphosphanium
PubChem CID174404591
Molecular FormulaC8H18O5P+
Molecular Weight225.20 g/mol
Exact Mass225.09
IUPAC Name[1-(2-ethoxyethoxy)cyclobutyl]-trihydroxyphosphanium
SMILESCCOCCOC1([P+](O)(O)O)CCC1
InChIInChI=1S/C8H18O5P/c1-2-12-6-7-13-8(4-3-5-8)14(9,10)11/h9-11H,2-7H2,1H3/q+1
InChIKeyDGLKGDQEEATQNT-UHFFFAOYSA-N
XLogP0.66
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(bromomethyl)-1-(2-ethoxyethoxy)cyclopentane
CID 62112037
[1-(2-ethoxyethyl)cyclopentyl]methanol
CID 66023683
1-[[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]methyl]cycloheptan-1-ol
CID 65123306
2-[1-(2-ethoxyethoxy)cyclobutyl]-N-ethylethanamine
CID 103273067
1,2-diethoxyethane;hydrofluoride
CID 175535770
1-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethanol
CID 141265881
1,2-diethoxyethane;ethene
CID 158825770
sodium;1,2-diethoxyethane;hydride
CID 174903036
1-(2-ethoxyethoxy)-1-(iodomethyl)-4-propan-2-ylcyclohexane
CID 114772593
2-(1-aminocyclobutyl)-N,N-bis(2-ethoxyethyl)acetamide
CID 82966068
1,2-diethoxyethane;oxirane
CID 159897663
1-ethoxy-3-(1-methoxycyclobutyl)propan-2-ol
CID 103560182

Frequently Asked Questions

What is the IUPAC name of [1-(2-ethoxyethoxy)cyclobutyl]-trihydroxyphosphanium?
The IUPAC name of [1-(2-ethoxyethoxy)cyclobutyl]-trihydroxyphosphanium (CID 174404591) is [1-(2-ethoxyethoxy)cyclobutyl]-trihydroxyphosphanium.
What is the SMILES notation for [1-(2-ethoxyethoxy)cyclobutyl]-trihydroxyphosphanium?
The canonical SMILES for [1-(2-ethoxyethoxy)cyclobutyl]-trihydroxyphosphanium is CCOCCOC1([P+](O)(O)O)CCC1.
What is the InChIKey of [1-(2-ethoxyethoxy)cyclobutyl]-trihydroxyphosphanium?
The InChIKey is DGLKGDQEEATQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O5P/c1-2-12-6-7-13-8(4-3-5-8)14(9,10)11/h9-11H,2-7H2,1H3/q+1.
What are the key properties of [1-(2-ethoxyethoxy)cyclobutyl]-trihydroxyphosphanium?
[1-(2-ethoxyethoxy)cyclobutyl]-trihydroxyphosphanium has a molecular weight of 225.20 g/mol, XLogP of 0.66, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-ethoxyethoxy)cyclobutyl]-trihydroxyphosphanium is sourced from PubChem (CID 174404591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).