1-selenophosphorosotridecane

C13H27PSe — CID 87250093

IUPAC1-selenophosphorosotridecane
SMILESCCCCCCCCCCCCCP=[Se]
InChIInChI=1S/C13H27PSe/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2-13H2,1H3
InChIKeyUXVJVSWDOHEBNU-UHFFFAOYSA-N
MW293.29 g/mol
LogP5.33
Rot. Bonds12

About 1-selenophosphorosotridecane

1-selenophosphorosotridecane (PubChem CID 87250093) has the molecular formula C13H27PSe and a molecular weight of 293.29 g/mol. Its IUPAC name is 1-selenophosphorosotridecane.

Molecular Properties

Compound Name1-selenophosphorosotridecane
PubChem CID87250093
Molecular FormulaC13H27PSe
Molecular Weight293.29 g/mol
Exact Mass294.10
IUPAC Name1-selenophosphorosotridecane
SMILESCCCCCCCCCCCCCP=[Se]
InChIInChI=1S/C13H27PSe/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2-13H2,1H3
InChIKeyUXVJVSWDOHEBNU-UHFFFAOYSA-N
XLogP5.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.29
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-selenophosphorosooctane
CID 87323745
selanylidenephosphane;1-selenophosphorosobutane
CID 175026639
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
decane;heptane
CID 159049036
henoctacontane
CID 22086342
CID 161246447
CID 161246447
triacontane
CID 12535
dictane
CID 19848341
dohexacontane
CID 522644

Frequently Asked Questions

What is the IUPAC name of 1-selenophosphorosotridecane?
The IUPAC name of 1-selenophosphorosotridecane (CID 87250093) is 1-selenophosphorosotridecane.
What is the SMILES notation for 1-selenophosphorosotridecane?
The canonical SMILES for 1-selenophosphorosotridecane is CCCCCCCCCCCCCP=[Se].
What is the InChIKey of 1-selenophosphorosotridecane?
The InChIKey is UXVJVSWDOHEBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27PSe/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2-13H2,1H3.
What are the key properties of 1-selenophosphorosotridecane?
1-selenophosphorosotridecane has a molecular weight of 293.29 g/mol, XLogP of 5.33, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-selenophosphorosotridecane is sourced from PubChem (CID 87250093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).