2-ethyldodecyl 2-phosphanyloxypropanoate

C17H35O3P — CID 19783901

IUPAC2-ethyldodecyl 2-phosphanyloxypropanoate
SMILESCCCCCCCCCCC(CC)COC(=O)C(C)OP
InChIInChI=1S/C17H35O3P/c1-4-6-7-8-9-10-11-12-13-16(5-2)14-19-17(18)15(3)20-21/h15-16H,4-14,21H2,1-3H3
InChIKeyDWWNHAPBIOEHSS-UHFFFAOYSA-N
MW318.44 g/mol
LogP5.28
Rot. Bonds14

About 2-ethyldodecyl 2-phosphanyloxypropanoate

2-ethyldodecyl 2-phosphanyloxypropanoate (PubChem CID 19783901) has the molecular formula C17H35O3P and a molecular weight of 318.44 g/mol. Its IUPAC name is 2-ethyldodecyl 2-phosphanyloxypropanoate.

Molecular Properties

Compound Name2-ethyldodecyl 2-phosphanyloxypropanoate
PubChem CID19783901
Molecular FormulaC17H35O3P
Molecular Weight318.44 g/mol
Exact Mass318.23
IUPAC Name2-ethyldodecyl 2-phosphanyloxypropanoate
SMILESCCCCCCCCCCC(CC)COC(=O)C(C)OP
InChIInChI=1S/C17H35O3P/c1-4-6-7-8-9-10-11-12-13-16(5-2)14-19-17(18)15(3)20-21/h15-16H,4-14,21H2,1-3H3
InChIKeyDWWNHAPBIOEHSS-UHFFFAOYSA-N
XLogP5.28
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.44
LogP ≤ 55.28
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

2-ethyltridecyl propanoate
CID 172787512
hexyl 2-phosphanyloxypropanoate
CID 19783897
2-tetradecyloctadecyl 2-phosphanyloxyhexanoate
CID 19783944
2-ethylhexadecyl octadecanoate
CID 23363420
2-ethylhexyl 3-hexylundecanoate
CID 23148711
2-ethylhexyl (2S)-2-amino-3-methylbutanoate
CID 61302679
2-ethylundecyl nonanoate
CID 176969573
O-(2-ethylnonyl) ethanethioate
CID 87549107
2-ethylhexyl 2-methylbutanoate
CID 3023949
2-ethylhexyl pentadecyl carbonate
CID 91693131
2-ethylhexyl 2-amino-3-hydroxybutanoate
CID 61302291
2-ethylhexyl 9-ethyloctadecanoate
CID 166859369

Frequently Asked Questions

What is the IUPAC name of 2-ethyldodecyl 2-phosphanyloxypropanoate?
The IUPAC name of 2-ethyldodecyl 2-phosphanyloxypropanoate (CID 19783901) is 2-ethyldodecyl 2-phosphanyloxypropanoate.
What is the SMILES notation for 2-ethyldodecyl 2-phosphanyloxypropanoate?
The canonical SMILES for 2-ethyldodecyl 2-phosphanyloxypropanoate is CCCCCCCCCCC(CC)COC(=O)C(C)OP.
What is the InChIKey of 2-ethyldodecyl 2-phosphanyloxypropanoate?
The InChIKey is DWWNHAPBIOEHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35O3P/c1-4-6-7-8-9-10-11-12-13-16(5-2)14-19-17(18)15(3)20-21/h15-16H,4-14,21H2,1-3H3.
What are the key properties of 2-ethyldodecyl 2-phosphanyloxypropanoate?
2-ethyldodecyl 2-phosphanyloxypropanoate has a molecular weight of 318.44 g/mol, XLogP of 5.28, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyldodecyl 2-phosphanyloxypropanoate is sourced from PubChem (CID 19783901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).