CID 174654761

C8H20O6PSZn+ — CID 174654761

IUPAC—
SMILESO=[P+](O)O.O=[S-](=O)O.[CH2-]CCCCCCC.[Zn+2]
InChIInChI=1S/C8H17.HO3P.HO3S.Zn/c1-3-5-7-8-6-4-2;2*1-4(2)3;/h1,3-8H2,2H3;(H-,1,2,3);(H,1,2,3);/q-1;;-1;+2/p+1
InChIKeySYLOJOXWWQCOQI-UHFFFAOYSA-O
MW340.67 g/mol
LogP2.58
Rot. Bonds5

About CID 174654761

CID 174654761 (PubChem CID 174654761) has the molecular formula C8H20O6PSZn+ and a molecular weight of 340.67 g/mol.

Molecular Properties

Compound NameCID 174654761
PubChem CID174654761
Molecular FormulaC8H20O6PSZn+
Molecular Weight340.67 g/mol
Exact Mass339.00
IUPAC Name—
SMILESO=[P+](O)O.O=[S-](=O)O.[CH2-]CCCCCCC.[Zn+2]
InChIInChI=1S/C8H17.HO3P.HO3S.Zn/c1-3-5-7-8-6-4-2;2*1-4(2)3;/h1,3-8H2,2H3;(H-,1,2,3);(H,1,2,3);/q-1;;-1;+2/p+1
InChIKeySYLOJOXWWQCOQI-UHFFFAOYSA-O
XLogP2.58
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.67
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

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CID 158218967
CID 158218967
magnesium;octane;propane
CID 140617216
magnesium;octadecane;bromide
CID 12546206
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CID 88592756
heptadecane
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dioxido(oxo)phosphanium;heptane;neodymium(3+)
CID 162000198

Frequently Asked Questions

What is the IUPAC name of CID 174654761?
The IUPAC name of CID 174654761 (CID 174654761) is not available.
What is the SMILES notation for CID 174654761?
The canonical SMILES for CID 174654761 is O=[P+](O)O.O=[S-](=O)O.[CH2-]CCCCCCC.[Zn+2].
What is the InChIKey of CID 174654761?
The InChIKey is SYLOJOXWWQCOQI-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H17.HO3P.HO3S.Zn/c1-3-5-7-8-6-4-2;2*1-4(2)3;/h1,3-8H2,2H3;(H-,1,2,3);(H,1,2,3);/q-1;;-1;+2/p+1.
What are the key properties of CID 174654761?
CID 174654761 has a molecular weight of 340.67 g/mol, XLogP of 2.58, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174654761 is sourced from PubChem (CID 174654761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).