(3-hexanoyloxy-2-hydroxypropoxy)-oxido-oxophosphanium

C9H17O6P — CID 153469763

IUPAC(3-hexanoyloxy-2-hydroxypropoxy)-oxido-oxophosphanium
SMILESCCCCCC(=O)OCC(O)CO[P+](=O)[O-]
InChIInChI=1S/C9H17O6P/c1-2-3-4-5-9(11)14-6-8(10)7-15-16(12)13/h8,10H,2-7H2,1H3
InChIKeyVRENPXQYZLOVMN-UHFFFAOYSA-N
MW252.20 g/mol
LogP0.51
Rot. Bonds9

About (3-hexanoyloxy-2-hydroxypropoxy)-oxido-oxophosphanium

(3-hexanoyloxy-2-hydroxypropoxy)-oxido-oxophosphanium (PubChem CID 153469763) has the molecular formula C9H17O6P and a molecular weight of 252.20 g/mol. Its IUPAC name is (3-hexanoyloxy-2-hydroxypropoxy)-oxido-oxophosphanium.

Molecular Properties

Compound Name(3-hexanoyloxy-2-hydroxypropoxy)-oxido-oxophosphanium
PubChem CID153469763
Molecular FormulaC9H17O6P
Molecular Weight252.20 g/mol
Exact Mass252.08
IUPAC Name(3-hexanoyloxy-2-hydroxypropoxy)-oxido-oxophosphanium
SMILESCCCCCC(=O)OCC(O)CO[P+](=O)[O-]
InChIInChI=1S/C9H17O6P/c1-2-3-4-5-9(11)14-6-8(10)7-15-16(12)13/h8,10H,2-7H2,1H3
InChIKeyVRENPXQYZLOVMN-UHFFFAOYSA-N
XLogP0.51
TPSA95.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.20
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

[(2R)-2-hydroxy-3-octanoyloxypropyl] pentadecanoate
CID 131799748
[(2S)-2-hydroxy-3-pentadecanoyloxypropyl] icosanoate
CID 131802658
[(2S)-3-decanoyloxy-2-hydroxypropyl] nonadecanoate
CID 131799324
(3-heptadecanoyloxy-2-hydroxypropyl) heptadecanoate
CID 19753453
[(2R)-3-hexadecanoyloxy-2-hydroxypropyl] heptadecanoate
CID 131800092
[(2R)-2-hydroxy-3-pentadecanoyloxypropyl] tetracosanoate
CID 131801713
(3-heptadecanoyloxy-2-hydroxypropyl) octadecanoate
CID 178202109
[(2R)-2-hydroxy-3-pentadecanoyloxypropyl] icosanoate
CID 131800454
[(2R)-3-decanoyloxy-2-hydroxypropyl] tridecanoate
CID 131799469
[(2R)-2-hydroxy-3-nonadecanoyloxypropyl] henicosanoate
CID 131800392
[3-(2-aminoacetyl)oxy-2-hydroxypropyl] tetradecanoate
CID 91467511
2,3-bis[(8-heptadecan-9-yloxy-8-oxooctanoyl)oxy]propoxy-oxido-oxophosphanium
CID 176659111

Frequently Asked Questions

What is the IUPAC name of (3-hexanoyloxy-2-hydroxypropoxy)-oxido-oxophosphanium?
The IUPAC name of (3-hexanoyloxy-2-hydroxypropoxy)-oxido-oxophosphanium (CID 153469763) is (3-hexanoyloxy-2-hydroxypropoxy)-oxido-oxophosphanium.
What is the SMILES notation for (3-hexanoyloxy-2-hydroxypropoxy)-oxido-oxophosphanium?
The canonical SMILES for (3-hexanoyloxy-2-hydroxypropoxy)-oxido-oxophosphanium is CCCCCC(=O)OCC(O)CO[P+](=O)[O-].
What is the InChIKey of (3-hexanoyloxy-2-hydroxypropoxy)-oxido-oxophosphanium?
The InChIKey is VRENPXQYZLOVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17O6P/c1-2-3-4-5-9(11)14-6-8(10)7-15-16(12)13/h8,10H,2-7H2,1H3.
What are the key properties of (3-hexanoyloxy-2-hydroxypropoxy)-oxido-oxophosphanium?
(3-hexanoyloxy-2-hydroxypropoxy)-oxido-oxophosphanium has a molecular weight of 252.20 g/mol, XLogP of 0.51, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hexanoyloxy-2-hydroxypropoxy)-oxido-oxophosphanium is sourced from PubChem (CID 153469763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).