2-propyldecyl 2-phosphanyloxyacetate

C15H31O3P — CID 19783835

IUPAC2-propyldecyl 2-phosphanyloxyacetate
SMILESCCCCCCCCC(CCC)COC(=O)COP
InChIInChI=1S/C15H31O3P/c1-3-5-6-7-8-9-11-14(10-4-2)12-17-15(16)13-18-19/h14H,3-13,19H2,1-2H3
InChIKeyOVQRJQYQXFCTSK-UHFFFAOYSA-N
MW290.38 g/mol
LogP4.50
Rot. Bonds13

About 2-propyldecyl 2-phosphanyloxyacetate

2-propyldecyl 2-phosphanyloxyacetate (PubChem CID 19783835) has the molecular formula C15H31O3P and a molecular weight of 290.38 g/mol. Its IUPAC name is 2-propyldecyl 2-phosphanyloxyacetate.

Molecular Properties

Compound Name2-propyldecyl 2-phosphanyloxyacetate
PubChem CID19783835
Molecular FormulaC15H31O3P
Molecular Weight290.38 g/mol
Exact Mass290.20
IUPAC Name2-propyldecyl 2-phosphanyloxyacetate
SMILESCCCCCCCCC(CCC)COC(=O)COP
InChIInChI=1S/C15H31O3P/c1-3-5-6-7-8-9-11-14(10-4-2)12-17-15(16)13-18-19/h14H,3-13,19H2,1-2H3
InChIKeyOVQRJQYQXFCTSK-UHFFFAOYSA-N
XLogP4.50
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 54.50
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-octyldodecyl 2-methoxyacetate
CID 129279651
2-propyldecyl 3-phosphanyloxybutanoate
CID 19783889
2-decyltetradecyl propanoate
CID 160958817
2-propylundecyl acetate
CID 170849319
[(2S)-2-octyldodecyl] octadecanoate
CID 73415853
2-hexyldecyl hexadecanoate
CID 3017919
[(2R)-2-hexadecylicosyl] octanoate
CID 98094426
2-tetradecyloctadecyl hexadecanoate
CID 3023956
2-octyldodecyl docosanoate
CID 22623513
2-decylhexadecyl 2-decyloctadecanoate
CID 139900333
2-butyldecyl 2-sulfooxyacetate
CID 18954978
bis(2-heptylundecyl) 2-hydroxybutanedioate
CID 88811976

Frequently Asked Questions

What is the IUPAC name of 2-propyldecyl 2-phosphanyloxyacetate?
The IUPAC name of 2-propyldecyl 2-phosphanyloxyacetate (CID 19783835) is 2-propyldecyl 2-phosphanyloxyacetate.
What is the SMILES notation for 2-propyldecyl 2-phosphanyloxyacetate?
The canonical SMILES for 2-propyldecyl 2-phosphanyloxyacetate is CCCCCCCCC(CCC)COC(=O)COP.
What is the InChIKey of 2-propyldecyl 2-phosphanyloxyacetate?
The InChIKey is OVQRJQYQXFCTSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31O3P/c1-3-5-6-7-8-9-11-14(10-4-2)12-17-15(16)13-18-19/h14H,3-13,19H2,1-2H3.
What are the key properties of 2-propyldecyl 2-phosphanyloxyacetate?
2-propyldecyl 2-phosphanyloxyacetate has a molecular weight of 290.38 g/mol, XLogP of 4.50, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyldecyl 2-phosphanyloxyacetate is sourced from PubChem (CID 19783835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).