5-ethyloctan-4-yloxy(oxo)phosphanium

C10H22O2P+ — CID 150301272

IUPAC5-ethyloctan-4-yloxy(oxo)phosphanium
SMILESCCCC(CC)C(CCC)O[PH+]=O
InChIInChI=1S/C10H22O2P/c1-4-7-9(6-3)10(8-5-2)12-13-11/h9-10,13H,4-8H2,1-3H3/q+1
InChIKeyFMFWPFKHLYLAMN-UHFFFAOYSA-N
MW205.26 g/mol
LogP3.94
Rot. Bonds8

About 5-ethyloctan-4-yloxy(oxo)phosphanium

5-ethyloctan-4-yloxy(oxo)phosphanium (PubChem CID 150301272) has the molecular formula C10H22O2P+ and a molecular weight of 205.26 g/mol. Its IUPAC name is 5-ethyloctan-4-yloxy(oxo)phosphanium.

Molecular Properties

Compound Name5-ethyloctan-4-yloxy(oxo)phosphanium
PubChem CID150301272
Molecular FormulaC10H22O2P+
Molecular Weight205.26 g/mol
Exact Mass205.14
IUPAC Name5-ethyloctan-4-yloxy(oxo)phosphanium
SMILESCCCC(CC)C(CCC)O[PH+]=O
InChIInChI=1S/C10H22O2P/c1-4-7-9(6-3)10(8-5-2)12-13-11/h9-10,13H,4-8H2,1-3H3/q+1
InChIKeyFMFWPFKHLYLAMN-UHFFFAOYSA-N
XLogP3.94
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-ethyldecan-5-yloxy(oxo)phosphanium;nickel
CID 160585258
hexan-3-yloxy(oxo)phosphanium
CID 123426808
4,5-diethyloctane
CID 519254
4-ethyl-5-(4-ethylnonan-5-yloxy)nonane
CID 88635662
tris(3,4-diethylheptane);methane
CID 160558798
3,4-diethylheptane;ethane
CID 144734225
4,5,6,7-tetraethyldecane
CID 101052128
(3R)-3-ethyl-2-methylhexane
CID 59954424
5-ethyloctan-4-yl pentyl hydrogen phosphate
CID 59775726
3-methylheptan-4-yloxysilane
CID 173078778
4,5-diethylnonane
CID 21188862
3,4,5-triethyloctane
CID 57492611

Frequently Asked Questions

What is the IUPAC name of 5-ethyloctan-4-yloxy(oxo)phosphanium?
The IUPAC name of 5-ethyloctan-4-yloxy(oxo)phosphanium (CID 150301272) is 5-ethyloctan-4-yloxy(oxo)phosphanium.
What is the SMILES notation for 5-ethyloctan-4-yloxy(oxo)phosphanium?
The canonical SMILES for 5-ethyloctan-4-yloxy(oxo)phosphanium is CCCC(CC)C(CCC)O[PH+]=O.
What is the InChIKey of 5-ethyloctan-4-yloxy(oxo)phosphanium?
The InChIKey is FMFWPFKHLYLAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2P/c1-4-7-9(6-3)10(8-5-2)12-13-11/h9-10,13H,4-8H2,1-3H3/q+1.
What are the key properties of 5-ethyloctan-4-yloxy(oxo)phosphanium?
5-ethyloctan-4-yloxy(oxo)phosphanium has a molecular weight of 205.26 g/mol, XLogP of 3.94, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyloctan-4-yloxy(oxo)phosphanium is sourced from PubChem (CID 150301272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).