(2-ethyl-2-hydroxyhexyl)-hydroxy-oxophosphanium

C8H18O3P+ — CID 175225306

IUPAC(2-ethyl-2-hydroxyhexyl)-hydroxy-oxophosphanium
SMILESCCCCC(O)(CC)C[P+](=O)O
InChIInChI=1S/C8H17O3P/c1-3-5-6-8(9,4-2)7-12(10)11/h9H,3-7H2,1-2H3/p+1
InChIKeyVTSQDVRHEASHDJ-UHFFFAOYSA-O
MW193.20 g/mol
LogP2.05
Rot. Bonds6

About (2-ethyl-2-hydroxyhexyl)-hydroxy-oxophosphanium

(2-ethyl-2-hydroxyhexyl)-hydroxy-oxophosphanium (PubChem CID 175225306) has the molecular formula C8H18O3P+ and a molecular weight of 193.20 g/mol. Its IUPAC name is (2-ethyl-2-hydroxyhexyl)-hydroxy-oxophosphanium.

Molecular Properties

Compound Name(2-ethyl-2-hydroxyhexyl)-hydroxy-oxophosphanium
PubChem CID175225306
Molecular FormulaC8H18O3P+
Molecular Weight193.20 g/mol
Exact Mass193.10
IUPAC Name(2-ethyl-2-hydroxyhexyl)-hydroxy-oxophosphanium
SMILESCCCCC(O)(CC)C[P+](=O)O
InChIInChI=1S/C8H17O3P/c1-3-5-6-8(9,4-2)7-12(10)11/h9H,3-7H2,1-2H3/p+1
InChIKeyVTSQDVRHEASHDJ-UHFFFAOYSA-O
XLogP2.05
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9-ethylheptadecan-9-ol
CID 86166082
5-(phosphanylmethyl)nonan-5-ol
CID 140650139
5-ethylnonane-1,5-diol
CID 87121663
2-ethyltridecane-1,2-diol
CID 88923996
7-hexylhexadecan-7-ol
CID 141253911
9-octyloctadecan-9-ol
CID 150674168
7-pentylpentadecan-7-ol
CID 12913436
2,4-diethyloctane-1,4-diol
CID 87744704
2-butyltetradecane-1,2-diol
CID 88924076
2,2-dimethylpropyl-hydroxy-oxophosphanium
CID 89268152
dihydroxy(oxo)phosphanium;bis(octadecane)
CID 87485521
dihydroxy(oxo)phosphanium;dodecane
CID 18620358

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-2-hydroxyhexyl)-hydroxy-oxophosphanium?
The IUPAC name of (2-ethyl-2-hydroxyhexyl)-hydroxy-oxophosphanium (CID 175225306) is (2-ethyl-2-hydroxyhexyl)-hydroxy-oxophosphanium.
What is the SMILES notation for (2-ethyl-2-hydroxyhexyl)-hydroxy-oxophosphanium?
The canonical SMILES for (2-ethyl-2-hydroxyhexyl)-hydroxy-oxophosphanium is CCCCC(O)(CC)C[P+](=O)O.
What is the InChIKey of (2-ethyl-2-hydroxyhexyl)-hydroxy-oxophosphanium?
The InChIKey is VTSQDVRHEASHDJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H17O3P/c1-3-5-6-8(9,4-2)7-12(10)11/h9H,3-7H2,1-2H3/p+1.
What are the key properties of (2-ethyl-2-hydroxyhexyl)-hydroxy-oxophosphanium?
(2-ethyl-2-hydroxyhexyl)-hydroxy-oxophosphanium has a molecular weight of 193.20 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-2-hydroxyhexyl)-hydroxy-oxophosphanium is sourced from PubChem (CID 175225306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).