ethane;methoxymethoxy-oxo-(2,2,2-triphenylethyl)phosphanium

C28H40O3P+ — CID 90802212

IUPACethane;methoxymethoxy-oxo-(2,2,2-triphenylethyl)phosphanium
SMILESCC.CC.CC.COCO[P+](=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22O3P.3C2H6/c1-24-18-25-26(23)17-22(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21;3*1-2/h2-16H,17-18H2,1H3;3*1-2H3/q+1;;;
InChIKeyDDECFDBZMNYVGT-UHFFFAOYSA-N
MW455.60 g/mol
LogP8.46
Rot. Bonds8

About ethane;methoxymethoxy-oxo-(2,2,2-triphenylethyl)phosphanium

ethane;methoxymethoxy-oxo-(2,2,2-triphenylethyl)phosphanium (PubChem CID 90802212) has the molecular formula C28H40O3P+ and a molecular weight of 455.60 g/mol. Its IUPAC name is ethane;methoxymethoxy-oxo-(2,2,2-triphenylethyl)phosphanium.

Molecular Properties

Compound Nameethane;methoxymethoxy-oxo-(2,2,2-triphenylethyl)phosphanium
PubChem CID90802212
Molecular FormulaC28H40O3P+
Molecular Weight455.60 g/mol
Exact Mass455.27
IUPAC Nameethane;methoxymethoxy-oxo-(2,2,2-triphenylethyl)phosphanium
SMILESCC.CC.CC.COCO[P+](=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22O3P.3C2H6/c1-24-18-25-26(23)17-22(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21;3*1-2/h2-16H,17-18H2,1H3;3*1-2H3/q+1;;;
InChIKeyDDECFDBZMNYVGT-UHFFFAOYSA-N
XLogP8.46
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.60
LogP ≤ 58.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

methyl-oxo-(4,4,4-triphenylbutoxy)phosphanium
CID 162300033
bis(2-chloro-2,2-diphenylethoxy)-oxophosphanium
CID 57020602
oxo-pent-2-enyl-phenylmethoxyphosphanium
CID 74601015
1-(2,2,2-triphenylethoxy)ethane-1,1-diol
CID 54503444
4-ethyl-1-methoxy-4-phenylhexan-3-one
CID 114992026
3-hydroxy-3-[4-(methoxymethoxy)phenyl]-3-phenylpropanoic acid
CID 18473837
[(2S)-2-(methoxymethoxy)but-3-yn-2-yl]benzene
CID 124584766
(2,3-dimethoxy-1,1-diphenylpent-2-enyl)benzene
CID 67563916
tert-butylbenzene;methyl formate
CID 174802474
(2-ethoxy-1,1-diphenylethyl)benzene
CID 58693364
(1,4-dimethoxy-2,3-dimethyl-3-phenylbutan-2-yl)benzene
CID 131848966
methoxy-(4-methoxy-5-oxo-4-phenylpentyl)-oxophosphanium
CID 88811968

Frequently Asked Questions

What is the IUPAC name of ethane;methoxymethoxy-oxo-(2,2,2-triphenylethyl)phosphanium?
The IUPAC name of ethane;methoxymethoxy-oxo-(2,2,2-triphenylethyl)phosphanium (CID 90802212) is ethane;methoxymethoxy-oxo-(2,2,2-triphenylethyl)phosphanium.
What is the SMILES notation for ethane;methoxymethoxy-oxo-(2,2,2-triphenylethyl)phosphanium?
The canonical SMILES for ethane;methoxymethoxy-oxo-(2,2,2-triphenylethyl)phosphanium is CC.CC.CC.COCO[P+](=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of ethane;methoxymethoxy-oxo-(2,2,2-triphenylethyl)phosphanium?
The InChIKey is DDECFDBZMNYVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O3P.3C2H6/c1-24-18-25-26(23)17-22(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21;3*1-2/h2-16H,17-18H2,1H3;3*1-2H3/q+1;;;.
What are the key properties of ethane;methoxymethoxy-oxo-(2,2,2-triphenylethyl)phosphanium?
ethane;methoxymethoxy-oxo-(2,2,2-triphenylethyl)phosphanium has a molecular weight of 455.60 g/mol, XLogP of 8.46, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methoxymethoxy-oxo-(2,2,2-triphenylethyl)phosphanium is sourced from PubChem (CID 90802212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).