nonyl 2-phosphanyloxyhexanoate

C15H31O3P — CID 19783950

IUPACnonyl 2-phosphanyloxyhexanoate
SMILESCCCCCCCCCOC(=O)C(CCCC)OP
InChIInChI=1S/C15H31O3P/c1-3-5-7-8-9-10-11-13-17-15(16)14(18-19)12-6-4-2/h14H,3-13,19H2,1-2H3
InChIKeyBKJWPNYQZUJKDU-UHFFFAOYSA-N
MW290.38 g/mol
LogP4.65
Rot. Bonds13

About nonyl 2-phosphanyloxyhexanoate

nonyl 2-phosphanyloxyhexanoate (PubChem CID 19783950) has the molecular formula C15H31O3P and a molecular weight of 290.38 g/mol. Its IUPAC name is nonyl 2-phosphanyloxyhexanoate.

Molecular Properties

Compound Namenonyl 2-phosphanyloxyhexanoate
PubChem CID19783950
Molecular FormulaC15H31O3P
Molecular Weight290.38 g/mol
Exact Mass290.20
IUPAC Namenonyl 2-phosphanyloxyhexanoate
SMILESCCCCCCCCCOC(=O)C(CCCC)OP
InChIInChI=1S/C15H31O3P/c1-3-5-7-8-9-10-11-13-17-15(16)14(18-19)12-6-4-2/h14H,3-13,19H2,1-2H3
InChIKeyBKJWPNYQZUJKDU-UHFFFAOYSA-N
XLogP4.65
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 ≤ 54.65
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

octadecyl 2-phosphanyloxyhexanoate
CID 19783946
2-tetradecyloctadecyl 2-phosphanyloxyhexanoate
CID 19783944
hexyl 2-phosphanyloxypropanoate
CID 19783897
hexadecyl 2-acetyloxyhexadecanoate
CID 12071370
tetradecyl 2-butylhexanoate
CID 91318887
octadecyl 2-(2-hydroxyethoxy)icosanoate
CID 175005154
dodecyl 2-methylhexanoate
CID 20682052
decyl 2-methylhexanoate
CID 86220664
octyl 2-butyldocosanoate
CID 174740469
hexadecyl (2S)-2-aminohexanoate
CID 10808138
hexyl 2-hydroxyhexanoate;hydrochloride
CID 174906603
octadec-1-enyl 2-phosphanyloxyhexanoate
CID 54316399

Frequently Asked Questions

What is the IUPAC name of nonyl 2-phosphanyloxyhexanoate?
The IUPAC name of nonyl 2-phosphanyloxyhexanoate (CID 19783950) is nonyl 2-phosphanyloxyhexanoate.
What is the SMILES notation for nonyl 2-phosphanyloxyhexanoate?
The canonical SMILES for nonyl 2-phosphanyloxyhexanoate is CCCCCCCCCOC(=O)C(CCCC)OP.
What is the InChIKey of nonyl 2-phosphanyloxyhexanoate?
The InChIKey is BKJWPNYQZUJKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31O3P/c1-3-5-7-8-9-10-11-13-17-15(16)14(18-19)12-6-4-2/h14H,3-13,19H2,1-2H3.
What are the key properties of nonyl 2-phosphanyloxyhexanoate?
nonyl 2-phosphanyloxyhexanoate has a molecular weight of 290.38 g/mol, XLogP of 4.65, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for nonyl 2-phosphanyloxyhexanoate is sourced from PubChem (CID 19783950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).