2-butoxyethyl phosphate

C6H13O5P-2 — CID 19389417

IUPAC2-butoxyethyl phosphate
SMILESCCCCOCCOP(=O)([O-])[O-]
InChIInChI=1S/C6H15O5P/c1-2-3-4-10-5-6-11-12(7,8)9/h2-6H2,1H3,(H2,7,8,9)/p-2
InChIKeyTVAJJUOMNRUGQA-UHFFFAOYSA-L
MW196.14 g/mol
LogP-0.35
Rot. Bonds7

About 2-butoxyethyl phosphate

2-butoxyethyl phosphate (PubChem CID 19389417) has the molecular formula C6H13O5P-2 and a molecular weight of 196.14 g/mol. Its IUPAC name is 2-butoxyethyl phosphate.

Molecular Properties

Compound Name2-butoxyethyl phosphate
PubChem CID19389417
Molecular FormulaC6H13O5P-2
Molecular Weight196.14 g/mol
Exact Mass196.05
IUPAC Name2-butoxyethyl phosphate
SMILESCCCCOCCOP(=O)([O-])[O-]
InChIInChI=1S/C6H15O5P/c1-2-3-4-10-5-6-11-12(7,8)9/h2-6H2,1H3,(H2,7,8,9)/p-2
InChIKeyTVAJJUOMNRUGQA-UHFFFAOYSA-L
XLogP-0.35
TPSA81.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.14
LogP ≤ 5-0.35
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of 2-butoxyethyl phosphate?
The IUPAC name of 2-butoxyethyl phosphate (CID 19389417) is 2-butoxyethyl phosphate.
What is the SMILES notation for 2-butoxyethyl phosphate?
The canonical SMILES for 2-butoxyethyl phosphate is CCCCOCCOP(=O)([O-])[O-].
What is the InChIKey of 2-butoxyethyl phosphate?
The InChIKey is TVAJJUOMNRUGQA-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H15O5P/c1-2-3-4-10-5-6-11-12(7,8)9/h2-6H2,1H3,(H2,7,8,9)/p-2.
What are the key properties of 2-butoxyethyl phosphate?
2-butoxyethyl phosphate has a molecular weight of 196.14 g/mol, XLogP of -0.35, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxyethyl phosphate is sourced from PubChem (CID 19389417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).