bis(2-butoxyethyl) 2-hydroxyethyl phosphate

C14H31O7P — CID 132967161

IUPACbis(2-butoxyethyl) 2-hydroxyethyl phosphate
SMILESCCCCOCCOP(=O)(OCCO)OCCOCCCC
InChIInChI=1S/C14H31O7P/c1-3-5-8-17-11-13-20-22(16,19-10-7-15)21-14-12-18-9-6-4-2/h15H,3-14H2,1-2H3
InChIKeyUQSRKBXTCXVEJL-UHFFFAOYSA-N
MW342.37 g/mol
LogP2.77
Rot. Bonds17

About bis(2-butoxyethyl) 2-hydroxyethyl phosphate

bis(2-butoxyethyl) 2-hydroxyethyl phosphate (PubChem CID 132967161) has the molecular formula C14H31O7P and a molecular weight of 342.37 g/mol. Its IUPAC name is bis(2-butoxyethyl) 2-hydroxyethyl phosphate.

Molecular Properties

Compound Namebis(2-butoxyethyl) 2-hydroxyethyl phosphate
PubChem CID132967161
Molecular FormulaC14H31O7P
Molecular Weight342.37 g/mol
Exact Mass342.18
IUPAC Namebis(2-butoxyethyl) 2-hydroxyethyl phosphate
SMILESCCCCOCCOP(=O)(OCCO)OCCOCCCC
InChIInChI=1S/C14H31O7P/c1-3-5-8-17-11-13-20-22(16,19-10-7-15)21-14-12-18-9-6-4-2/h15H,3-14H2,1-2H3
InChIKeyUQSRKBXTCXVEJL-UHFFFAOYSA-N
XLogP2.77
TPSA83.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 bis(2-butoxyethyl) 2-hydroxyethyl phosphate?
The IUPAC name of bis(2-butoxyethyl) 2-hydroxyethyl phosphate (CID 132967161) is bis(2-butoxyethyl) 2-hydroxyethyl phosphate.
What is the SMILES notation for bis(2-butoxyethyl) 2-hydroxyethyl phosphate?
The canonical SMILES for bis(2-butoxyethyl) 2-hydroxyethyl phosphate is CCCCOCCOP(=O)(OCCO)OCCOCCCC.
What is the InChIKey of bis(2-butoxyethyl) 2-hydroxyethyl phosphate?
The InChIKey is UQSRKBXTCXVEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31O7P/c1-3-5-8-17-11-13-20-22(16,19-10-7-15)21-14-12-18-9-6-4-2/h15H,3-14H2,1-2H3.
What are the key properties of bis(2-butoxyethyl) 2-hydroxyethyl phosphate?
bis(2-butoxyethyl) 2-hydroxyethyl phosphate has a molecular weight of 342.37 g/mol, XLogP of 2.77, 17 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-butoxyethyl) 2-hydroxyethyl phosphate is sourced from PubChem (CID 132967161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).