2,2-bis(hydroxymethyl)decoxy-selenidophosphinic acid

C12H26O5PSe- — CID 22392399

IUPAC2,2-bis(hydroxymethyl)decoxy-selenidophosphinic acid
SMILESCCCCCCCCC(CO)(CO)COP(=O)(O)[Se-]
InChIInChI=1S/C12H27O5PSe/c1-2-3-4-5-6-7-8-12(9-13,10-14)11-17-18(15,16)19/h13-14H,2-11H2,1H3,(H2,15,16,19)/p-1
InChIKeyFUPOBDQTAYEXBO-UHFFFAOYSA-M
MW360.27 g/mol
LogP1.99
Rot. Bonds12

About 2,2-bis(hydroxymethyl)decoxy-selenidophosphinic acid

2,2-bis(hydroxymethyl)decoxy-selenidophosphinic acid (PubChem CID 22392399) has the molecular formula C12H26O5PSe- and a molecular weight of 360.27 g/mol. Its IUPAC name is 2,2-bis(hydroxymethyl)decoxy-selenidophosphinic acid.

Molecular Properties

Compound Name2,2-bis(hydroxymethyl)decoxy-selenidophosphinic acid
PubChem CID22392399
Molecular FormulaC12H26O5PSe-
Molecular Weight360.27 g/mol
Exact Mass361.07
IUPAC Name2,2-bis(hydroxymethyl)decoxy-selenidophosphinic acid
SMILESCCCCCCCCC(CO)(CO)COP(=O)(O)[Se-]
InChIInChI=1S/C12H27O5PSe/c1-2-3-4-5-6-7-8-12(9-13,10-14)11-17-18(15,16)19/h13-14H,2-11H2,1H3,(H2,15,16,19)/p-1
InChIKeyFUPOBDQTAYEXBO-UHFFFAOYSA-M
XLogP1.99
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.27
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,2-bis(hydroxymethyl)nonyl dihydrogen phosphate
CID 87965684
2,2-bis(hydroxymethyl)decyl dihydrogen phosphate
CID 87965547
2,2-di(undecyl)tridecan-1-ol
CID 176610401
2,2-dioctyldecan-1-ol
CID 87374856
2,2-bis(hydroxymethyl)pentyl dihydrogen phosphate
CID 87966631
5,5-dibutylhexadecane;phosphoric acid
CID 175353536
2-decyl-2-(hydroxymethyl)propane-1,3-diol;phosphorous acid
CID 87965517
2,6-didodecyl-2,6-bis(hydroxymethyl)heptane-1,7-diol
CID 142452979
2-(5-butoxypentyl)-2-(octoxymethyl)propane-1,3-diol
CID 58492091
[3-hydroxy-2-(hydroxymethyl)-2-methylpropoxy]-selenidophosphinic acid
CID 22392374
2-pentyl-2-propylpropane-1,3-diol
CID 18188395
(2-heptyl-2-methylnonyl) dihydrogen phosphate
CID 174137085

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(hydroxymethyl)decoxy-selenidophosphinic acid?
The IUPAC name of 2,2-bis(hydroxymethyl)decoxy-selenidophosphinic acid (CID 22392399) is 2,2-bis(hydroxymethyl)decoxy-selenidophosphinic acid.
What is the SMILES notation for 2,2-bis(hydroxymethyl)decoxy-selenidophosphinic acid?
The canonical SMILES for 2,2-bis(hydroxymethyl)decoxy-selenidophosphinic acid is CCCCCCCCC(CO)(CO)COP(=O)(O)[Se-].
What is the InChIKey of 2,2-bis(hydroxymethyl)decoxy-selenidophosphinic acid?
The InChIKey is FUPOBDQTAYEXBO-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H27O5PSe/c1-2-3-4-5-6-7-8-12(9-13,10-14)11-17-18(15,16)19/h13-14H,2-11H2,1H3,(H2,15,16,19)/p-1.
What are the key properties of 2,2-bis(hydroxymethyl)decoxy-selenidophosphinic acid?
2,2-bis(hydroxymethyl)decoxy-selenidophosphinic acid has a molecular weight of 360.27 g/mol, XLogP of 1.99, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(hydroxymethyl)decoxy-selenidophosphinic acid is sourced from PubChem (CID 22392399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).