CID 23272700

C7H18O4PS+ — CID 23272700

IUPAC—
SMILESCCOP(=O)(C[S+](C)(C)=O)OCC
InChIInChI=1S/C7H18O4PS/c1-5-10-12(8,11-6-2)7-13(3,4)9/h5-7H2,1-4H3/q+1
InChIKeyPLFPUDNOTQCKIQ-UHFFFAOYSA-N
MW229.26 g/mol
LogP1.97
Rot. Bonds6

About CID 23272700

CID 23272700 (PubChem CID 23272700) has the molecular formula C7H18O4PS+ and a molecular weight of 229.26 g/mol.

Molecular Properties

Compound NameCID 23272700
PubChem CID23272700
Molecular FormulaC7H18O4PS+
Molecular Weight229.26 g/mol
Exact Mass229.07
IUPAC Name—
SMILESCCOP(=O)(C[S+](C)(C)=O)OCC
InChIInChI=1S/C7H18O4PS/c1-5-10-12(8,11-6-2)7-13(3,4)9/h5-7H2,1-4H3/q+1
InChIKeyPLFPUDNOTQCKIQ-UHFFFAOYSA-N
XLogP1.97
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-deuterio-1-diethoxyphosphorylbutane
CID 102385353
1-[ethoxy(methoxymethyl)phosphoryl]oxyethane
CID 11658394
sodium diethoxyphosphorylmethanol
CID 22274944
[ethoxy(ethyl)phosphoryl] hypochlorite
CID 87057693
1-[fluoromethyl(methoxy)phosphoryl]oxyethane
CID 13426238
3-diethoxyphosphorylprop-1-ene
CID 573014
2-diethoxyphosphorylethanamine;hydrochloride
CID 21435836
4-diethoxyphosphoryl-1-hydroxybutan-2-one
CID 11009594
[chloromethyl(ethoxy)phosphoryl]oxybenzene
CID 71429135
1-[chloromethoxymethyl(ethoxy)phosphoryl]oxyethane
CID 14258001
1-diethoxyphosphoryldecane
CID 2773697
lithium diethoxyphosphorylmethanesulfonate
CID 23683927

Frequently Asked Questions

What is the IUPAC name of CID 23272700?
The IUPAC name of CID 23272700 (CID 23272700) is not available.
What is the SMILES notation for CID 23272700?
The canonical SMILES for CID 23272700 is CCOP(=O)(C[S+](C)(C)=O)OCC.
What is the InChIKey of CID 23272700?
The InChIKey is PLFPUDNOTQCKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18O4PS/c1-5-10-12(8,11-6-2)7-13(3,4)9/h5-7H2,1-4H3/q+1.
What are the key properties of CID 23272700?
CID 23272700 has a molecular weight of 229.26 g/mol, XLogP of 1.97, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 23272700 is sourced from PubChem (CID 23272700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).