5-dimethoxyphosphoryl-5-methylselanylpent-1-ene

C8H17O3PSe — CID 134919802

IUPAC5-dimethoxyphosphoryl-5-methylselanylpent-1-ene
SMILESC=CCCC([Se]C)P(=O)(OC)OC
InChIInChI=1S/C8H17O3PSe/c1-5-6-7-8(13-4)12(9,10-2)11-3/h5,8H,1,6-7H2,2-4H3
InChIKeyUYLCPPBCOPFSEP-UHFFFAOYSA-N
MW271.15 g/mol
LogP2.52
Rot. Bonds7

About 5-dimethoxyphosphoryl-5-methylselanylpent-1-ene

5-dimethoxyphosphoryl-5-methylselanylpent-1-ene (PubChem CID 134919802) has the molecular formula C8H17O3PSe and a molecular weight of 271.15 g/mol. Its IUPAC name is 5-dimethoxyphosphoryl-5-methylselanylpent-1-ene.

Molecular Properties

Compound Name5-dimethoxyphosphoryl-5-methylselanylpent-1-ene
PubChem CID134919802
Molecular FormulaC8H17O3PSe
Molecular Weight271.15 g/mol
Exact Mass272.01
IUPAC Name5-dimethoxyphosphoryl-5-methylselanylpent-1-ene
SMILESC=CCCC([Se]C)P(=O)(OC)OC
InChIInChI=1S/C8H17O3PSe/c1-5-6-7-8(13-4)12(9,10-2)11-3/h5,8H,1,6-7H2,2-4H3
InChIKeyUYLCPPBCOPFSEP-UHFFFAOYSA-N
XLogP2.52
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.15
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-dimethoxyphosphoryl-5-methylselanylpent-1-ene?
The IUPAC name of 5-dimethoxyphosphoryl-5-methylselanylpent-1-ene (CID 134919802) is 5-dimethoxyphosphoryl-5-methylselanylpent-1-ene.
What is the SMILES notation for 5-dimethoxyphosphoryl-5-methylselanylpent-1-ene?
The canonical SMILES for 5-dimethoxyphosphoryl-5-methylselanylpent-1-ene is C=CCCC([Se]C)P(=O)(OC)OC.
What is the InChIKey of 5-dimethoxyphosphoryl-5-methylselanylpent-1-ene?
The InChIKey is UYLCPPBCOPFSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17O3PSe/c1-5-6-7-8(13-4)12(9,10-2)11-3/h5,8H,1,6-7H2,2-4H3.
What are the key properties of 5-dimethoxyphosphoryl-5-methylselanylpent-1-ene?
5-dimethoxyphosphoryl-5-methylselanylpent-1-ene has a molecular weight of 271.15 g/mol, XLogP of 2.52, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-dimethoxyphosphoryl-5-methylselanylpent-1-ene is sourced from PubChem (CID 134919802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).