bis(dihydroxy(oxo)phosphanium);pentan-1-ol

C5H16O7P2+2 — CID 88669892

IUPACbis(dihydroxy(oxo)phosphanium);pentan-1-ol
SMILESCCCCCO.O=[P+](O)O.O=[P+](O)O
InChIInChI=1S/C5H12O.2HO3P/c1-2-3-4-5-6;2*1-4(2)3/h6H,2-5H2,1H3;2*(H-,1,2,3)/p+2
InChIKeyDNSLFJLHHAWABM-UHFFFAOYSA-P
MW250.12 g/mol
LogP0.43
Rot. Bonds3

About bis(dihydroxy(oxo)phosphanium);pentan-1-ol

bis(dihydroxy(oxo)phosphanium);pentan-1-ol (PubChem CID 88669892) has the molecular formula C5H16O7P2+2 and a molecular weight of 250.12 g/mol. Its IUPAC name is bis(dihydroxy(oxo)phosphanium);pentan-1-ol.

Molecular Properties

Compound Namebis(dihydroxy(oxo)phosphanium);pentan-1-ol
PubChem CID88669892
Molecular FormulaC5H16O7P2+2
Molecular Weight250.12 g/mol
Exact Mass250.04
IUPAC Namebis(dihydroxy(oxo)phosphanium);pentan-1-ol
SMILESCCCCCO.O=[P+](O)O.O=[P+](O)O
InChIInChI=1S/C5H12O.2HO3P/c1-2-3-4-5-6;2*1-4(2)3/h6H,2-5H2,1H3;2*(H-,1,2,3)/p+2
InChIKeyDNSLFJLHHAWABM-UHFFFAOYSA-P
XLogP0.43
TPSA135.29 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.12
LogP ≤ 50.43
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

decan-1-ol;dihydroxy(oxo)phosphanium
CID 162195755
dihydroxy(oxo)phosphanium;tridecan-1-ol
CID 174863686
dihydroxy(oxo)phosphanium;bis(octadecane)
CID 87485521
dihydroxy(oxo)phosphanium;dodecane
CID 18620358
azane;hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;octadecan-1-ol
CID 173412749
gold;pentan-1-ol
CID 152701196
nickel;pentan-1-ol
CID 157287705
decane;decan-1-ol
CID 22418527
dohexacontan-1-ol
CID 22501426
dodecan-1-ol;tetradecan-1-ol
CID 21281432
pentan-1-ol;yttrium
CID 154312100
heptan-1-ol;nonan-1-ol
CID 160785033

Frequently Asked Questions

What is the IUPAC name of bis(dihydroxy(oxo)phosphanium);pentan-1-ol?
The IUPAC name of bis(dihydroxy(oxo)phosphanium);pentan-1-ol (CID 88669892) is bis(dihydroxy(oxo)phosphanium);pentan-1-ol.
What is the SMILES notation for bis(dihydroxy(oxo)phosphanium);pentan-1-ol?
The canonical SMILES for bis(dihydroxy(oxo)phosphanium);pentan-1-ol is CCCCCO.O=[P+](O)O.O=[P+](O)O.
What is the InChIKey of bis(dihydroxy(oxo)phosphanium);pentan-1-ol?
The InChIKey is DNSLFJLHHAWABM-UHFFFAOYSA-P. The full InChI is InChI=1S/C5H12O.2HO3P/c1-2-3-4-5-6;2*1-4(2)3/h6H,2-5H2,1H3;2*(H-,1,2,3)/p+2.
What are the key properties of bis(dihydroxy(oxo)phosphanium);pentan-1-ol?
bis(dihydroxy(oxo)phosphanium);pentan-1-ol has a molecular weight of 250.12 g/mol, XLogP of 0.43, 3 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dihydroxy(oxo)phosphanium);pentan-1-ol is sourced from PubChem (CID 88669892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).