1-selenophosphorosooctane

C8H17PSe — CID 87323745

IUPAC1-selenophosphorosooctane
SMILESCCCCCCCCP=[Se]
InChIInChI=1S/C8H17PSe/c1-2-3-4-5-6-7-8-9-10/h2-8H2,1H3
InChIKeyVTVBEHDUEODPCX-UHFFFAOYSA-N
MW223.16 g/mol
LogP3.38
Rot. Bonds7

About 1-selenophosphorosooctane

1-selenophosphorosooctane (PubChem CID 87323745) has the molecular formula C8H17PSe and a molecular weight of 223.16 g/mol. Its IUPAC name is 1-selenophosphorosooctane.

Molecular Properties

Compound Name1-selenophosphorosooctane
PubChem CID87323745
Molecular FormulaC8H17PSe
Molecular Weight223.16 g/mol
Exact Mass224.02
IUPAC Name1-selenophosphorosooctane
SMILESCCCCCCCCP=[Se]
InChIInChI=1S/C8H17PSe/c1-2-3-4-5-6-7-8-9-10/h2-8H2,1H3
InChIKeyVTVBEHDUEODPCX-UHFFFAOYSA-N
XLogP3.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.16
LogP ≤ 53.38
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-selenophosphorosotridecane
CID 87250093
selanylidenephosphane;1-selenophosphorosobutane
CID 175026639
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
dohexacontane
CID 522644
decane;heptane
CID 159049036
henoctacontane
CID 22086342
CID 161246447
CID 161246447
triacontane
CID 12535
dictane
CID 19848341

Frequently Asked Questions

What is the IUPAC name of 1-selenophosphorosooctane?
The IUPAC name of 1-selenophosphorosooctane (CID 87323745) is 1-selenophosphorosooctane.
What is the SMILES notation for 1-selenophosphorosooctane?
The canonical SMILES for 1-selenophosphorosooctane is CCCCCCCCP=[Se].
What is the InChIKey of 1-selenophosphorosooctane?
The InChIKey is VTVBEHDUEODPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17PSe/c1-2-3-4-5-6-7-8-9-10/h2-8H2,1H3.
What are the key properties of 1-selenophosphorosooctane?
1-selenophosphorosooctane has a molecular weight of 223.16 g/mol, XLogP of 3.38, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-selenophosphorosooctane is sourced from PubChem (CID 87323745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).