(6-methyl-1,1-diphenylheptoxy)-oxophosphanium

C20H26O2P+ — CID 154061823

IUPAC(6-methyl-1,1-diphenylheptoxy)-oxophosphanium
SMILESCC(C)CCCCC(O[PH+]=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H26O2P/c1-17(2)11-9-10-16-20(22-23-21,18-12-5-3-6-13-18)19-14-7-4-8-15-19/h3-8,12-15,17,23H,9-11,16H2,1-2H3/q+1
InChIKeyWLGLQCSSPGUMSQ-UHFFFAOYSA-N
MW329.40 g/mol
LogP6.10
Rot. Bonds9

About (6-methyl-1,1-diphenylheptoxy)-oxophosphanium

(6-methyl-1,1-diphenylheptoxy)-oxophosphanium (PubChem CID 154061823) has the molecular formula C20H26O2P+ and a molecular weight of 329.40 g/mol. Its IUPAC name is (6-methyl-1,1-diphenylheptoxy)-oxophosphanium.

Molecular Properties

Compound Name(6-methyl-1,1-diphenylheptoxy)-oxophosphanium
PubChem CID154061823
Molecular FormulaC20H26O2P+
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name(6-methyl-1,1-diphenylheptoxy)-oxophosphanium
SMILESCC(C)CCCCC(O[PH+]=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H26O2P/c1-17(2)11-9-10-16-20(22-23-21,18-12-5-3-6-13-18)19-14-7-4-8-15-19/h3-8,12-15,17,23H,9-11,16H2,1-2H3/q+1
InChIKeyWLGLQCSSPGUMSQ-UHFFFAOYSA-N
XLogP6.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.40
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(6-methyl-1,1-diphenylheptyl) phenyl hydrogen phosphate
CID 172697050
hydroxy-(6-methyl-1,1-diphenylheptyl)-oxophosphanium
CID 172710427
6-methyl-2,2-diphenylheptanoic acid
CID 141362939
1-(1,1-diphenyldodecoxy)ethyl dihydrogen phosphite
CID 21499219
2-benzyl-8-methyl-2-phenylnonanoic acid
CID 154389519
2-(4-methylpentyl)-2-phenylpropane-1,3-diol
CID 83168289
(6-ethoxy-1,1-diphenylheptyl)benzene
CID 175940887
2-ethyl-6-methyl-2-phenylheptanoic acid
CID 83158043
5-methyl-2,2-diphenylhexanamide;hydrochloride
CID 175870176
1,1-diphenylhexoxy-bis(sulfanyl)phosphane
CID 54190731
tris(1,1-diphenyltridecyl) phosphate
CID 87921329
3,7-dimethyloctan-3-ol;2-phenylbutan-2-ol
CID 159895945

Frequently Asked Questions

What is the IUPAC name of (6-methyl-1,1-diphenylheptoxy)-oxophosphanium?
The IUPAC name of (6-methyl-1,1-diphenylheptoxy)-oxophosphanium (CID 154061823) is (6-methyl-1,1-diphenylheptoxy)-oxophosphanium.
What is the SMILES notation for (6-methyl-1,1-diphenylheptoxy)-oxophosphanium?
The canonical SMILES for (6-methyl-1,1-diphenylheptoxy)-oxophosphanium is CC(C)CCCCC(O[PH+]=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (6-methyl-1,1-diphenylheptoxy)-oxophosphanium?
The InChIKey is WLGLQCSSPGUMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O2P/c1-17(2)11-9-10-16-20(22-23-21,18-12-5-3-6-13-18)19-14-7-4-8-15-19/h3-8,12-15,17,23H,9-11,16H2,1-2H3/q+1.
What are the key properties of (6-methyl-1,1-diphenylheptoxy)-oxophosphanium?
(6-methyl-1,1-diphenylheptoxy)-oxophosphanium has a molecular weight of 329.40 g/mol, XLogP of 6.10, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-1,1-diphenylheptoxy)-oxophosphanium is sourced from PubChem (CID 154061823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).