bis(2-but-2-en-2-yloxyethyl) hydrogen phosphate

C12H23O6P — CID 171482069

IUPACbis(2-but-2-en-2-yloxyethyl) hydrogen phosphate
SMILESCC=C(C)OCCOP(=O)(O)OCCOC(C)=CC
InChIInChI=1S/C12H23O6P/c1-5-11(3)15-7-9-17-19(13,14)18-10-8-16-12(4)6-2/h5-6H,7-10H2,1-4H3,(H,13,14)
InChIKeyHDHLWVHFEUMEOA-UHFFFAOYSA-N
MW294.28 g/mol
LogP3.00
Rot. Bonds10

About bis(2-but-2-en-2-yloxyethyl) hydrogen phosphate

bis(2-but-2-en-2-yloxyethyl) hydrogen phosphate (PubChem CID 171482069) has the molecular formula C12H23O6P and a molecular weight of 294.28 g/mol. Its IUPAC name is bis(2-but-2-en-2-yloxyethyl) hydrogen phosphate.

Molecular Properties

Compound Namebis(2-but-2-en-2-yloxyethyl) hydrogen phosphate
PubChem CID171482069
Molecular FormulaC12H23O6P
Molecular Weight294.28 g/mol
Exact Mass294.12
IUPAC Namebis(2-but-2-en-2-yloxyethyl) hydrogen phosphate
SMILESCC=C(C)OCCOP(=O)(O)OCCOC(C)=CC
InChIInChI=1S/C12H23O6P/c1-5-11(3)15-7-9-17-19(13,14)18-10-8-16-12(4)6-2/h5-6H,7-10H2,1-4H3,(H,13,14)
InChIKeyHDHLWVHFEUMEOA-UHFFFAOYSA-N
XLogP3.00
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze bis(2-but-2-en-2-yloxyethyl) hydrogen phosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[hydroxy(prop-2-enoxy)phosphoryl]oxyethyl 2-methylprop-2-enoate
CID 88502358
2-aminoethyl 2-methoxyethyl hydrogen phosphate
CID 59087649
2-[2-aminoethoxy(hydroxy)phosphoryl]oxyethyl 2-methylpropanoate
CID 126647188
2-[hydroxy-[2-(2-methylprop-2-enoyloxy)ethoxy]phosphoryl]oxyethyl-dimethylazanium
CID 143475819
dibutyl hydrogen phosphate
CID 158586372
2-[bis[2-(2-methylprop-2-enoyloxy)ethoxy]phosphoryloxy-hydroxyphosphoryl]oxyethyl 2-methylprop-2-enoate
CID 87608005
bis(2-trimethylsilylethyl) hydrogen phosphate
CID 87816838
2-[2-(2-acetyloxypropanoyloxy)ethoxy-hydroxyphosphoryl]oxyethyl-trimethylazanium
CID 59476545
prop-1-enyl propyl hydrogen phosphate
CID 87732909
2-[2-[2-[2-[2-[2-[hydroxy-[2-[2-[2-[2-[2-(2-phosphonooxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phosphoryl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy-methylphosphinic acid
CID 174196734
decyl dodecyl hydrogen phosphate
CID 20810618
lithium;dibutyl hydrogen phosphate;hydride
CID 174759631

Frequently Asked Questions

What is the IUPAC name of bis(2-but-2-en-2-yloxyethyl) hydrogen phosphate?
The IUPAC name of bis(2-but-2-en-2-yloxyethyl) hydrogen phosphate (CID 171482069) is bis(2-but-2-en-2-yloxyethyl) hydrogen phosphate.
What is the SMILES notation for bis(2-but-2-en-2-yloxyethyl) hydrogen phosphate?
The canonical SMILES for bis(2-but-2-en-2-yloxyethyl) hydrogen phosphate is CC=C(C)OCCOP(=O)(O)OCCOC(C)=CC.
What is the InChIKey of bis(2-but-2-en-2-yloxyethyl) hydrogen phosphate?
The InChIKey is HDHLWVHFEUMEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23O6P/c1-5-11(3)15-7-9-17-19(13,14)18-10-8-16-12(4)6-2/h5-6H,7-10H2,1-4H3,(H,13,14).
What are the key properties of bis(2-but-2-en-2-yloxyethyl) hydrogen phosphate?
bis(2-but-2-en-2-yloxyethyl) hydrogen phosphate has a molecular weight of 294.28 g/mol, XLogP of 3.00, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-but-2-en-2-yloxyethyl) hydrogen phosphate is sourced from PubChem (CID 171482069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).