2-ethyl-2-(phosphanyloxymethyl)hexan-1-ol

C9H21O2P — CID 146506376

IUPAC2-ethyl-2-(phosphanyloxymethyl)hexan-1-ol
SMILESCCCCC(CC)(CO)COP
InChIInChI=1S/C9H21O2P/c1-3-5-6-9(4-2,7-10)8-11-12/h10H,3-8,12H2,1-2H3
InChIKeyBFMOXENUJYWMHU-UHFFFAOYSA-N
MW192.24 g/mol
LogP2.37
Rot. Bonds7

About 2-ethyl-2-(phosphanyloxymethyl)hexan-1-ol

2-ethyl-2-(phosphanyloxymethyl)hexan-1-ol (PubChem CID 146506376) has the molecular formula C9H21O2P and a molecular weight of 192.24 g/mol. Its IUPAC name is 2-ethyl-2-(phosphanyloxymethyl)hexan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-(phosphanyloxymethyl)hexan-1-ol
PubChem CID146506376
Molecular FormulaC9H21O2P
Molecular Weight192.24 g/mol
Exact Mass192.13
IUPAC Name2-ethyl-2-(phosphanyloxymethyl)hexan-1-ol
SMILESCCCCC(CC)(CO)COP
InChIInChI=1S/C9H21O2P/c1-3-5-6-9(4-2,7-10)8-11-12/h10H,3-8,12H2,1-2H3
InChIKeyBFMOXENUJYWMHU-UHFFFAOYSA-N
XLogP2.37
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-butyl-2-ethylpropane-1,3-diol
CID 87084275
2-ethyl-2-[[4-[2-ethyl-2-(hydroxymethyl)hexoxy]cyclohexyl]oxymethyl]hexan-1-ol
CID 130308388
2-ethyl-2-[(3-hydroxy-2,2-dimethylpropoxy)methyl]hexan-1-ol
CID 90266979
2,2-dipropylhexan-1-ol;2-ethyl-2-propylhexan-1-ol
CID 23057811
2-butyl-2-ethylpropane-1,3-diol;nonane-1,9-diol
CID 157049942
2-(2,2-dimethylpropyl)-2-ethylhexan-1-ol
CID 156689440
2-butyl-2-ethyl-5,5-dimethylhexan-1-ol
CID 66057661
2,2-dibutylpropane-1,3-diol;2,2-dipropylpropane-1,3-diol
CID 159748951
2-[(dimethylamino)methyl]-2-ethylhexan-1-ol
CID 18990769
2-butyl-2-ethylpropane-1,3-diol;bis(octan-1-ol);titanium
CID 18718422
2-butyl-2-ethyl-4,4-dimethylhexan-1-ol
CID 156689242
2-butyl-2-ethylpropane-1,3-diol;2-ethyl-2-(2-methylpropyl)propane-1,3-diol
CID 88623677

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(phosphanyloxymethyl)hexan-1-ol?
The IUPAC name of 2-ethyl-2-(phosphanyloxymethyl)hexan-1-ol (CID 146506376) is 2-ethyl-2-(phosphanyloxymethyl)hexan-1-ol.
What is the SMILES notation for 2-ethyl-2-(phosphanyloxymethyl)hexan-1-ol?
The canonical SMILES for 2-ethyl-2-(phosphanyloxymethyl)hexan-1-ol is CCCCC(CC)(CO)COP.
What is the InChIKey of 2-ethyl-2-(phosphanyloxymethyl)hexan-1-ol?
The InChIKey is BFMOXENUJYWMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21O2P/c1-3-5-6-9(4-2,7-10)8-11-12/h10H,3-8,12H2,1-2H3.
What are the key properties of 2-ethyl-2-(phosphanyloxymethyl)hexan-1-ol?
2-ethyl-2-(phosphanyloxymethyl)hexan-1-ol has a molecular weight of 192.24 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(phosphanyloxymethyl)hexan-1-ol is sourced from PubChem (CID 146506376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).