hexyl 2-phosphanyloxypropanoate

C9H19O3P — CID 19783897

IUPAChexyl 2-phosphanyloxypropanoate
SMILESCCCCCCOC(=O)C(C)OP
InChIInChI=1S/C9H19O3P/c1-3-4-5-6-7-11-9(10)8(2)12-13/h8H,3-7,13H2,1-2H3
InChIKeyOHENDRCTRJERIO-UHFFFAOYSA-N
MW206.22 g/mol
LogP2.31
Rot. Bonds7

About hexyl 2-phosphanyloxypropanoate

hexyl 2-phosphanyloxypropanoate (PubChem CID 19783897) has the molecular formula C9H19O3P and a molecular weight of 206.22 g/mol. Its IUPAC name is hexyl 2-phosphanyloxypropanoate.

Molecular Properties

Compound Namehexyl 2-phosphanyloxypropanoate
PubChem CID19783897
Molecular FormulaC9H19O3P
Molecular Weight206.22 g/mol
Exact Mass206.11
IUPAC Namehexyl 2-phosphanyloxypropanoate
SMILESCCCCCCOC(=O)C(C)OP
InChIInChI=1S/C9H19O3P/c1-3-4-5-6-7-11-9(10)8(2)12-13/h8H,3-7,13H2,1-2H3
InChIKeyOHENDRCTRJERIO-UHFFFAOYSA-N
XLogP2.31
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 52.31
H-Bond Donors ≤ 50
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

10-fluorodecyl 2-phosphanyloxypropanoate
CID 19783989
heptyl 2-ethoxypropanoate
CID 175702782
hexyl 2-methyldodecanoate
CID 174392697
dodecyl 2-methyltetradecanoate
CID 88541423
dodecyl 2-methylhexanoate
CID 20682052
dodecyl 2-amino-3-methylbutanoate
CID 6453804
decyl 2-methylhexanoate
CID 86220664
octadecyl 2-phosphanyloxyhexanoate
CID 19783946
nonyl 2-phosphanyloxyhexanoate
CID 19783950
decyl 2-[(2-methylpropan-2-yl)oxy]propanoate
CID 175299623
heptadecyl (2S)-2-aminopropanoate
CID 122384608
heptyl 2-aminopropanoate
CID 14657662

Frequently Asked Questions

What is the IUPAC name of hexyl 2-phosphanyloxypropanoate?
The IUPAC name of hexyl 2-phosphanyloxypropanoate (CID 19783897) is hexyl 2-phosphanyloxypropanoate.
What is the SMILES notation for hexyl 2-phosphanyloxypropanoate?
The canonical SMILES for hexyl 2-phosphanyloxypropanoate is CCCCCCOC(=O)C(C)OP.
What is the InChIKey of hexyl 2-phosphanyloxypropanoate?
The InChIKey is OHENDRCTRJERIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19O3P/c1-3-4-5-6-7-11-9(10)8(2)12-13/h8H,3-7,13H2,1-2H3.
What are the key properties of hexyl 2-phosphanyloxypropanoate?
hexyl 2-phosphanyloxypropanoate has a molecular weight of 206.22 g/mol, XLogP of 2.31, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hexyl 2-phosphanyloxypropanoate is sourced from PubChem (CID 19783897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).