2-(2-hydroxyethoxy)ethyl octadecanoate;phosphoric acid

C22H47O8P — CID 172745187

IUPAC2-(2-hydroxyethoxy)ethyl octadecanoate;phosphoric acid
SMILESCCCCCCCCCCCCCCCCCC(=O)OCCOCCO.O=P(O)(O)O
InChIInChI=1S/C22H44O4.H3O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(24)26-21-20-25-19-18-23;1-5(2,3)4/h23H,2-21H2,1H3;(H3,1,2,3,4)
InChIKeyJPXPXZNQPKBRKN-UHFFFAOYSA-N
MW470.58 g/mol
LogP4.87
Rot. Bonds21

About 2-(2-hydroxyethoxy)ethyl octadecanoate;phosphoric acid

2-(2-hydroxyethoxy)ethyl octadecanoate;phosphoric acid (PubChem CID 172745187) has the molecular formula C22H47O8P and a molecular weight of 470.58 g/mol. Its IUPAC name is 2-(2-hydroxyethoxy)ethyl octadecanoate;phosphoric acid.

Molecular Properties

Compound Name2-(2-hydroxyethoxy)ethyl octadecanoate;phosphoric acid
PubChem CID172745187
Molecular FormulaC22H47O8P
Molecular Weight470.58 g/mol
Exact Mass470.30
IUPAC Name2-(2-hydroxyethoxy)ethyl octadecanoate;phosphoric acid
SMILESCCCCCCCCCCCCCCCCCC(=O)OCCOCCO.O=P(O)(O)O
InChIInChI=1S/C22H44O4.H3O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(24)26-21-20-25-19-18-23;1-5(2,3)4/h23H,2-21H2,1H3;(H3,1,2,3,4)
InChIKeyJPXPXZNQPKBRKN-UHFFFAOYSA-N
XLogP4.87
TPSA133.52 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds21
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.58
LogP ≤ 54.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl nonanoate
CID 139594206
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl nonanoate
CID 139595493
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl decanoate
CID 139595421
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl decanoate
CID 139596714
2-[2-(2-hydroxyethoxy)ethoxy]ethyl icosanoate
CID 176892143
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl hexadecanoate
CID 139595451
butyl octadecanoate;2-(2-hydroxyethoxy)ethanol
CID 23498291
2-[2-[2-(2-pentadecanoyloxyethoxy)ethoxy]ethoxy]ethyl pentadecanoate
CID 54361642
2-(2-heptadecanoyloxyethoxy)ethyl heptadecanoate
CID 102240292
2-(2-dotriacontanoyloxyethoxy)ethyl dotriacontanoate
CID 102240305
2-[2-(2-decanoyloxyethoxy)ethoxy]ethyl decanoate
CID 7787
2-(2-methoxyethoxy)ethyl dodecanoate
CID 10990309

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethoxy)ethyl octadecanoate;phosphoric acid?
The IUPAC name of 2-(2-hydroxyethoxy)ethyl octadecanoate;phosphoric acid (CID 172745187) is 2-(2-hydroxyethoxy)ethyl octadecanoate;phosphoric acid.
What is the SMILES notation for 2-(2-hydroxyethoxy)ethyl octadecanoate;phosphoric acid?
The canonical SMILES for 2-(2-hydroxyethoxy)ethyl octadecanoate;phosphoric acid is CCCCCCCCCCCCCCCCCC(=O)OCCOCCO.O=P(O)(O)O.
What is the InChIKey of 2-(2-hydroxyethoxy)ethyl octadecanoate;phosphoric acid?
The InChIKey is JPXPXZNQPKBRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44O4.H3O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(24)26-21-20-25-19-18-23;1-5(2,3)4/h23H,2-21H2,1H3;(H3,1,2,3,4).
What are the key properties of 2-(2-hydroxyethoxy)ethyl octadecanoate;phosphoric acid?
2-(2-hydroxyethoxy)ethyl octadecanoate;phosphoric acid has a molecular weight of 470.58 g/mol, XLogP of 4.87, 21 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethoxy)ethyl octadecanoate;phosphoric acid is sourced from PubChem (CID 172745187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).