sodium;dibutyl(trihydroxy)-λ5-phosphane;hydride

C8H22NaO3P — CID 173127559

IUPACsodium;dibutyl(trihydroxy)-λ5-phosphane;hydride
SMILESCCCCP(O)(O)(O)CCCC.[H-].[Na+]
InChIInChI=1S/C8H21O3P.Na.H/c1-3-5-7-12(9,10,11)8-6-4-2;;/h9-11H,3-8H2,1-2H3;;/q;+1;-1
InChIKeyMJWOOWKVKCDPKC-UHFFFAOYSA-N
MW220.22 g/mol
LogP-1.02
Rot. Bonds6

About sodium;dibutyl(trihydroxy)-λ5-phosphane;hydride

sodium;dibutyl(trihydroxy)-λ5-phosphane;hydride (PubChem CID 173127559) has the molecular formula C8H22NaO3P and a molecular weight of 220.22 g/mol. Its IUPAC name is sodium;dibutyl(trihydroxy)-λ5-phosphane;hydride.

Molecular Properties

Compound Namesodium;dibutyl(trihydroxy)-λ5-phosphane;hydride
PubChem CID173127559
Molecular FormulaC8H22NaO3P
Molecular Weight220.22 g/mol
Exact Mass220.12
IUPAC Namesodium;dibutyl(trihydroxy)-λ5-phosphane;hydride
SMILESCCCCP(O)(O)(O)CCCC.[H-].[Na+]
InChIInChI=1S/C8H21O3P.Na.H/c1-3-5-7-12(9,10,11)8-6-4-2;;/h9-11H,3-8H2,1-2H3;;/q;+1;-1
InChIKeyMJWOOWKVKCDPKC-UHFFFAOYSA-N
XLogP-1.02
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 5-1.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

butyl-trihydroxy-methyl-λ5-phosphane
CID 87283068
didodecyl hydrogen phosphite;didodecyl(trihydroxy)-λ5-phosphane
CID 159134854
tetrakis(octan-1-olate);titanium(4+);bis(trihydroxy-di(tridecyl)-λ5-phosphane)
CID 170850255
2,2-bis(hydroxymethyl)propane-1,3-diol;trihydroxy(dioctadecyl)-λ5-phosphane
CID 174961029
hydroxysilane;tetrabutyl(hydroxy)-λ5-phosphane
CID 160702804
tetrabutyl-(tetrabutyl-λ5-phosphanyl)-λ5-phosphane
CID 173272787
trihydroxy-bis(2-octylsulfanylethyl)-λ5-phosphane
CID 118590950
sodium;hydride;tridecane
CID 172995973
sodium;octakis(decane);hydride
CID 173398930
sodium;hydride;2-[trihydroxy(2-hydroxyethyl)-λ5-phosphanyl]ethanol
CID 173317934
trihydroxy-methyl-undecyl-λ5-phosphane
CID 87283197
magnesium;sodium;hydride;tetradecane
CID 173272965

Frequently Asked Questions

What is the IUPAC name of sodium;dibutyl(trihydroxy)-λ5-phosphane;hydride?
The IUPAC name of sodium;dibutyl(trihydroxy)-λ5-phosphane;hydride (CID 173127559) is sodium;dibutyl(trihydroxy)-λ5-phosphane;hydride.
What is the SMILES notation for sodium;dibutyl(trihydroxy)-λ5-phosphane;hydride?
The canonical SMILES for sodium;dibutyl(trihydroxy)-λ5-phosphane;hydride is CCCCP(O)(O)(O)CCCC.[H-].[Na+].
What is the InChIKey of sodium;dibutyl(trihydroxy)-λ5-phosphane;hydride?
The InChIKey is MJWOOWKVKCDPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21O3P.Na.H/c1-3-5-7-12(9,10,11)8-6-4-2;;/h9-11H,3-8H2,1-2H3;;/q;+1;-1.
What are the key properties of sodium;dibutyl(trihydroxy)-λ5-phosphane;hydride?
sodium;dibutyl(trihydroxy)-λ5-phosphane;hydride has a molecular weight of 220.22 g/mol, XLogP of -1.02, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;dibutyl(trihydroxy)-λ5-phosphane;hydride is sourced from PubChem (CID 173127559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).