2-methylpropane;triphenyl phosphate

C22H25O4P — CID 91193965

IUPAC2-methylpropane;triphenyl phosphate
SMILESCC(C)C.O=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C18H15O4P.C4H10/c19-23(20-16-10-4-1-5-11-16,21-17-12-6-2-7-13-17)22-18-14-8-3-9-15-18;1-4(2)3/h1-15H;4H,1-3H3
InChIKeyHTFNYMYWNZYCCN-UHFFFAOYSA-N
MW384.41 g/mol
LogP6.99
Rot. Bonds6

About 2-methylpropane;triphenyl phosphate

2-methylpropane;triphenyl phosphate (PubChem CID 91193965) has the molecular formula C22H25O4P and a molecular weight of 384.41 g/mol. Its IUPAC name is 2-methylpropane;triphenyl phosphate.

Molecular Properties

Compound Name2-methylpropane;triphenyl phosphate
PubChem CID91193965
Molecular FormulaC22H25O4P
Molecular Weight384.41 g/mol
Exact Mass384.15
IUPAC Name2-methylpropane;triphenyl phosphate
SMILESCC(C)C.O=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C18H15O4P.C4H10/c19-23(20-16-10-4-1-5-11-16,21-17-12-6-2-7-13-17)22-18-14-8-3-9-15-18;1-4(2)3/h1-15H;4H,1-3H3
InChIKeyHTFNYMYWNZYCCN-UHFFFAOYSA-N
XLogP6.99
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.41
LogP ≤ 56.99
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

triphenyl phosphate;hydrate
CID 66881958
bis(4-diphenoxyphosphoryloxyphenyl) phenyl phosphate
CID 58066863
tris[4-(1-phenylethyl)phenyl] phosphate
CID 519343
tris(4-phenoxyphenyl) phosphate
CID 70576220
dimethyl phenyl phosphate;ethane;trimethyl phosphate
CID 90867053
diphenoxyphosphoryl diphenyl phosphate;propane
CID 162105616
bis(2-methylphenyl) phenyl phosphate
CID 14618640
diphenyl silyl phosphate
CID 71371486
CID 175741196
CID 175741196
(4-diphenoxyphosphanyloxyphenyl) diphenyl phosphate
CID 126496961
phosphane;toluene;tris(4-methylphenyl) phosphate
CID 174780214
[2-[1-(2-diphenoxyphosphoryloxyphenyl)propyl]phenyl] diphenyl phosphate
CID 54005902

Frequently Asked Questions

What is the IUPAC name of 2-methylpropane;triphenyl phosphate?
The IUPAC name of 2-methylpropane;triphenyl phosphate (CID 91193965) is 2-methylpropane;triphenyl phosphate.
What is the SMILES notation for 2-methylpropane;triphenyl phosphate?
The canonical SMILES for 2-methylpropane;triphenyl phosphate is CC(C)C.O=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of 2-methylpropane;triphenyl phosphate?
The InChIKey is HTFNYMYWNZYCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15O4P.C4H10/c19-23(20-16-10-4-1-5-11-16,21-17-12-6-2-7-13-17)22-18-14-8-3-9-15-18;1-4(2)3/h1-15H;4H,1-3H3.
What are the key properties of 2-methylpropane;triphenyl phosphate?
2-methylpropane;triphenyl phosphate has a molecular weight of 384.41 g/mol, XLogP of 6.99, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropane;triphenyl phosphate is sourced from PubChem (CID 91193965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).