ditert-butyl (2-ethenylphenyl) phosphate

C16H25O4P — CID 54262154

IUPACditert-butyl (2-ethenylphenyl) phosphate
SMILESC=Cc1ccccc1OP(=O)(OC(C)(C)C)OC(C)(C)C
InChIInChI=1S/C16H25O4P/c1-8-13-11-9-10-12-14(13)18-21(17,19-15(2,3)4)20-16(5,6)7/h8-12H,1H2,2-7H3
InChIKeyREGJNSYTCUSKJQ-UHFFFAOYSA-N
MW312.35 g/mol
LogP5.45
Rot. Bonds5

About ditert-butyl (2-ethenylphenyl) phosphate

ditert-butyl (2-ethenylphenyl) phosphate (PubChem CID 54262154) has the molecular formula C16H25O4P and a molecular weight of 312.35 g/mol. Its IUPAC name is ditert-butyl (2-ethenylphenyl) phosphate.

Molecular Properties

Compound Nameditert-butyl (2-ethenylphenyl) phosphate
PubChem CID54262154
Molecular FormulaC16H25O4P
Molecular Weight312.35 g/mol
Exact Mass312.15
IUPAC Nameditert-butyl (2-ethenylphenyl) phosphate
SMILESC=Cc1ccccc1OP(=O)(OC(C)(C)C)OC(C)(C)C
InChIInChI=1S/C16H25O4P/c1-8-13-11-9-10-12-14(13)18-21(17,19-15(2,3)4)20-16(5,6)7/h8-12H,1H2,2-7H3
InChIKeyREGJNSYTCUSKJQ-UHFFFAOYSA-N
XLogP5.45
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.35
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

benzene;1-ethenyl-2-(2-ethenylphenoxy)benzene;phosphoric acid
CID 174842663
1,2-bis(ethenyl)benzene;2-tert-butylperoxy-2-methylpropane
CID 162247147
2-(2-ethenylphenoxy)-2-methylpropanoic acid
CID 135013356
2-(2-ethenylphenoxy)propan-2-yloxy-trimethylsilane
CID 174583744
benzene;(2-ethenylphenyl) acetate
CID 175577038
(2-ethenylphenyl) 2-methylprop-2-enoate
CID 19607397
1,1'-biphenyl;1-ethenyl-2-methoxybenzene
CID 158702776
1-ethenoxy-2-ethenylbenzene;propane
CID 166126256
1-ethenyl-2-(2-methylpropoxy)benzene
CID 22475776
ethane;1-ethenyl-2-ethylbenzene;1,1,1-trifluoroethane
CID 145463333
1-ethenyl-2-[2-(2-ethenylphenyl)ethenyl]benzene
CID 162779028
(2-but-1-enylphenyl) dihydrogen phosphate
CID 66677779

Frequently Asked Questions

What is the IUPAC name of ditert-butyl (2-ethenylphenyl) phosphate?
The IUPAC name of ditert-butyl (2-ethenylphenyl) phosphate (CID 54262154) is ditert-butyl (2-ethenylphenyl) phosphate.
What is the SMILES notation for ditert-butyl (2-ethenylphenyl) phosphate?
The canonical SMILES for ditert-butyl (2-ethenylphenyl) phosphate is C=Cc1ccccc1OP(=O)(OC(C)(C)C)OC(C)(C)C.
What is the InChIKey of ditert-butyl (2-ethenylphenyl) phosphate?
The InChIKey is REGJNSYTCUSKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25O4P/c1-8-13-11-9-10-12-14(13)18-21(17,19-15(2,3)4)20-16(5,6)7/h8-12H,1H2,2-7H3.
What are the key properties of ditert-butyl (2-ethenylphenyl) phosphate?
ditert-butyl (2-ethenylphenyl) phosphate has a molecular weight of 312.35 g/mol, XLogP of 5.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl (2-ethenylphenyl) phosphate is sourced from PubChem (CID 54262154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).