butoxy 2-(2-ethoxyethoxy)ethyl hydrogen phosphate

C10H23O7P — CID 122611661

IUPACbutoxy 2-(2-ethoxyethoxy)ethyl hydrogen phosphate
SMILESCCCCOOP(=O)(O)OCCOCCOCC
InChIInChI=1S/C10H23O7P/c1-3-5-6-15-17-18(11,12)16-10-9-14-8-7-13-4-2/h3-10H2,1-2H3,(H,11,12)
InChIKeyBCPZENWJKZNEDW-UHFFFAOYSA-N
MW286.26 g/mol
LogP1.90
Rot. Bonds13

About butoxy 2-(2-ethoxyethoxy)ethyl hydrogen phosphate

butoxy 2-(2-ethoxyethoxy)ethyl hydrogen phosphate (PubChem CID 122611661) has the molecular formula C10H23O7P and a molecular weight of 286.26 g/mol. Its IUPAC name is butoxy 2-(2-ethoxyethoxy)ethyl hydrogen phosphate.

Molecular Properties

Compound Namebutoxy 2-(2-ethoxyethoxy)ethyl hydrogen phosphate
PubChem CID122611661
Molecular FormulaC10H23O7P
Molecular Weight286.26 g/mol
Exact Mass286.12
IUPAC Namebutoxy 2-(2-ethoxyethoxy)ethyl hydrogen phosphate
SMILESCCCCOOP(=O)(O)OCCOCCOCC
InChIInChI=1S/C10H23O7P/c1-3-5-6-15-17-18(11,12)16-10-9-14-8-7-13-4-2/h3-10H2,1-2H3,(H,11,12)
InChIKeyBCPZENWJKZNEDW-UHFFFAOYSA-N
XLogP1.90
TPSA83.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

decoxy ethyl hydrogen phosphate
CID 150858602
bis(2-decoxyethyl) hydrogen phosphate
CID 13261719
bis(2-octadecoxyethyl) hydrogen phosphate
CID 57299614
dibutyl hydrogen phosphate
CID 158586372
2-heptadecoxyethyl methyl hydrogen phosphate
CID 175908043
lithium;dibutyl hydrogen phosphate;hydride
CID 174759631
tris(2-butoxyethyl) phosphate
CID 6540
methyl 2-propoxyethyl hydrogen phosphate
CID 87066021
tributoxy phosphate
CID 18706120
butyl heptyl hydrogen phosphate
CID 86151412
2-(2-ethoxyethoxy)ethyl (2-nonylnaphthalen-1-yl)oxy hydrogen phosphate
CID 172781696
2-(2-octadecoxyethoxy)ethyl dihydrogen phosphate
CID 72941562

Frequently Asked Questions

What is the IUPAC name of butoxy 2-(2-ethoxyethoxy)ethyl hydrogen phosphate?
The IUPAC name of butoxy 2-(2-ethoxyethoxy)ethyl hydrogen phosphate (CID 122611661) is butoxy 2-(2-ethoxyethoxy)ethyl hydrogen phosphate.
What is the SMILES notation for butoxy 2-(2-ethoxyethoxy)ethyl hydrogen phosphate?
The canonical SMILES for butoxy 2-(2-ethoxyethoxy)ethyl hydrogen phosphate is CCCCOOP(=O)(O)OCCOCCOCC.
What is the InChIKey of butoxy 2-(2-ethoxyethoxy)ethyl hydrogen phosphate?
The InChIKey is BCPZENWJKZNEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23O7P/c1-3-5-6-15-17-18(11,12)16-10-9-14-8-7-13-4-2/h3-10H2,1-2H3,(H,11,12).
What are the key properties of butoxy 2-(2-ethoxyethoxy)ethyl hydrogen phosphate?
butoxy 2-(2-ethoxyethoxy)ethyl hydrogen phosphate has a molecular weight of 286.26 g/mol, XLogP of 1.90, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for butoxy 2-(2-ethoxyethoxy)ethyl hydrogen phosphate is sourced from PubChem (CID 122611661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).