CID 136690039

C6H11PSe3 — CID 136690039

IUPAC—
SMILES[Se][P+]([Se])([Se-])C1CCCCC1
InChIInChI=1S/C6H11PSe3/c8-7(9,10)6-4-2-1-3-5-6/h6H,1-5H2
InChIKeyJWCYHKYXMGQVOJ-UHFFFAOYSA-N
MW351.01 g/mol
LogP1.59
Rot. Bonds1

About CID 136690039

CID 136690039 (PubChem CID 136690039) has the molecular formula C6H11PSe3 and a molecular weight of 351.01 g/mol.

Molecular Properties

Compound NameCID 136690039
PubChem CID136690039
Molecular FormulaC6H11PSe3
Molecular Weight351.01 g/mol
Exact Mass353.81
IUPAC Name—
SMILES[Se][P+]([Se])([Se-])C1CCCCC1
InChIInChI=1S/C6H11PSe3/c8-7(9,10)6-4-2-1-3-5-6/h6H,1-5H2
InChIKeyJWCYHKYXMGQVOJ-UHFFFAOYSA-N
XLogP1.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.01
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

trichloro(cyclohexyl)phosphanium
CID 23415122
tricyclohexyl(methyl)phosphanium chloride
CID 19001088
cyclodecyl(triphenyl)phosphanium
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iodo(tricyclohexylphosphaniumyl)boranuide
CID 134904418
cyclohexyl(trimethyl)phosphanium;tetramethylphosphanium;bromide;hydroxide
CID 157358455
cyclohexyl(triphenyl)phosphanium chloride
CID 18407754
cyclohexyl-methyl-diphenylphosphanium
CID 23418239
trans-(1S,2S)-cyclooctane-1,2-diol
CID 7273013
cycloundecane-1,2-diol
CID 67185134
dicyclohexyl-methyl-propan-2-yloxyphosphanium
CID 134455233
tricyclohexyl-(2,5-dihydroxycyclohexyl)phosphanium
CID 140575201
benzene;cyclohexylcyclohexane
CID 160520949

Frequently Asked Questions

What is the IUPAC name of CID 136690039?
The IUPAC name of CID 136690039 (CID 136690039) is not available.
What is the SMILES notation for CID 136690039?
The canonical SMILES for CID 136690039 is [Se][P+]([Se])([Se-])C1CCCCC1.
What is the InChIKey of CID 136690039?
The InChIKey is JWCYHKYXMGQVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11PSe3/c8-7(9,10)6-4-2-1-3-5-6/h6H,1-5H2.
What are the key properties of CID 136690039?
CID 136690039 has a molecular weight of 351.01 g/mol, XLogP of 1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 136690039 is sourced from PubChem (CID 136690039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).