hydroxy-(6-methyl-1,1-diphenylheptyl)-oxophosphanium

C20H26O2P+ — CID 172710427

IUPAChydroxy-(6-methyl-1,1-diphenylheptyl)-oxophosphanium
SMILESCC(C)CCCCC(c1ccccc1)(c1ccccc1)[P+](=O)O
InChIInChI=1S/C20H25O2P/c1-17(2)11-9-10-16-20(23(21)22,18-12-5-3-6-13-18)19-14-7-4-8-15-19/h3-8,12-15,17H,9-11,16H2,1-2H3/p+1
InChIKeyPJDOGMKMCHDZCY-UHFFFAOYSA-O
MW329.40 g/mol
LogP5.88
Rot. Bonds8

About hydroxy-(6-methyl-1,1-diphenylheptyl)-oxophosphanium

hydroxy-(6-methyl-1,1-diphenylheptyl)-oxophosphanium (PubChem CID 172710427) has the molecular formula C20H26O2P+ and a molecular weight of 329.40 g/mol. Its IUPAC name is hydroxy-(6-methyl-1,1-diphenylheptyl)-oxophosphanium.

Molecular Properties

Compound Namehydroxy-(6-methyl-1,1-diphenylheptyl)-oxophosphanium
PubChem CID172710427
Molecular FormulaC20H26O2P+
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Namehydroxy-(6-methyl-1,1-diphenylheptyl)-oxophosphanium
SMILESCC(C)CCCCC(c1ccccc1)(c1ccccc1)[P+](=O)O
InChIInChI=1S/C20H25O2P/c1-17(2)11-9-10-16-20(23(21)22,18-12-5-3-6-13-18)19-14-7-4-8-15-19/h3-8,12-15,17H,9-11,16H2,1-2H3/p+1
InChIKeyPJDOGMKMCHDZCY-UHFFFAOYSA-O
XLogP5.88
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.40
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 hydroxy-(6-methyl-1,1-diphenylheptyl)-oxophosphanium?
The IUPAC name of hydroxy-(6-methyl-1,1-diphenylheptyl)-oxophosphanium (CID 172710427) is hydroxy-(6-methyl-1,1-diphenylheptyl)-oxophosphanium.
What is the SMILES notation for hydroxy-(6-methyl-1,1-diphenylheptyl)-oxophosphanium?
The canonical SMILES for hydroxy-(6-methyl-1,1-diphenylheptyl)-oxophosphanium is CC(C)CCCCC(c1ccccc1)(c1ccccc1)[P+](=O)O.
What is the InChIKey of hydroxy-(6-methyl-1,1-diphenylheptyl)-oxophosphanium?
The InChIKey is PJDOGMKMCHDZCY-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H25O2P/c1-17(2)11-9-10-16-20(23(21)22,18-12-5-3-6-13-18)19-14-7-4-8-15-19/h3-8,12-15,17H,9-11,16H2,1-2H3/p+1.
What are the key properties of hydroxy-(6-methyl-1,1-diphenylheptyl)-oxophosphanium?
hydroxy-(6-methyl-1,1-diphenylheptyl)-oxophosphanium has a molecular weight of 329.40 g/mol, XLogP of 5.88, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-(6-methyl-1,1-diphenylheptyl)-oxophosphanium is sourced from PubChem (CID 172710427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).