bis(4-hydroxyhexan-3-yloxy)-oxophosphanium

C12H26O5P+ — CID 91487781

IUPACbis(4-hydroxyhexan-3-yloxy)-oxophosphanium
SMILESCCC(O)C(CC)O[P+](=O)OC(CC)C(O)CC
InChIInChI=1S/C12H26O5P/c1-5-9(13)11(7-3)16-18(15)17-12(8-4)10(14)6-2/h9-14H,5-8H2,1-4H3/q+1
InChIKeyWLXJROHCJOVSDR-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.78
Rot. Bonds10

About bis(4-hydroxyhexan-3-yloxy)-oxophosphanium

bis(4-hydroxyhexan-3-yloxy)-oxophosphanium (PubChem CID 91487781) has the molecular formula C12H26O5P+ and a molecular weight of 281.31 g/mol. Its IUPAC name is bis(4-hydroxyhexan-3-yloxy)-oxophosphanium.

Molecular Properties

Compound Namebis(4-hydroxyhexan-3-yloxy)-oxophosphanium
PubChem CID91487781
Molecular FormulaC12H26O5P+
Molecular Weight281.31 g/mol
Exact Mass281.15
IUPAC Namebis(4-hydroxyhexan-3-yloxy)-oxophosphanium
SMILESCCC(O)C(CC)O[P+](=O)OC(CC)C(O)CC
InChIInChI=1S/C12H26O5P/c1-5-9(13)11(7-3)16-18(15)17-12(8-4)10(14)6-2/h9-14H,5-8H2,1-4H3/q+1
InChIKeyWLXJROHCJOVSDR-UHFFFAOYSA-N
XLogP2.78
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

bis(1,2-diaminobutoxy)-oxophosphanium
CID 57302111
3-hydroxy-2-propan-2-ylpentanoic acid
CID 62398643
di(heptan-4-yloxy)-oxophosphanium
CID 57260615
(2S,3S)-2-propan-2-yloxypentane-1,3-diol
CID 58078764
[(3S,4S)-4-hydroxyhexan-3-yl] benzoate
CID 101228669
3-(1,2-dihydroxypentan-3-yloxy)pentane-1,2-diol
CID 57312737
hydroxy-(2-hydroxybutyl)-oxophosphanium
CID 70087402
bis[[(3R)-6-methylheptan-3-yl]oxy]-oxophosphanium
CID 99675694
bis(5,8-diethyldodecan-6-yloxy)-oxophosphanium
CID 23131996
chloroethane;2-chloroethoxy-(1-hydroxypropoxy)-oxophosphanium
CID 21493293
3-(2-hydroxypentan-3-yloxy)pentan-2-ol
CID 138539314
5-methylheptane-3,4-diol
CID 21486220

Frequently Asked Questions

What is the IUPAC name of bis(4-hydroxyhexan-3-yloxy)-oxophosphanium?
The IUPAC name of bis(4-hydroxyhexan-3-yloxy)-oxophosphanium (CID 91487781) is bis(4-hydroxyhexan-3-yloxy)-oxophosphanium.
What is the SMILES notation for bis(4-hydroxyhexan-3-yloxy)-oxophosphanium?
The canonical SMILES for bis(4-hydroxyhexan-3-yloxy)-oxophosphanium is CCC(O)C(CC)O[P+](=O)OC(CC)C(O)CC.
What is the InChIKey of bis(4-hydroxyhexan-3-yloxy)-oxophosphanium?
The InChIKey is WLXJROHCJOVSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O5P/c1-5-9(13)11(7-3)16-18(15)17-12(8-4)10(14)6-2/h9-14H,5-8H2,1-4H3/q+1.
What are the key properties of bis(4-hydroxyhexan-3-yloxy)-oxophosphanium?
bis(4-hydroxyhexan-3-yloxy)-oxophosphanium has a molecular weight of 281.31 g/mol, XLogP of 2.78, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-hydroxyhexan-3-yloxy)-oxophosphanium is sourced from PubChem (CID 91487781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).