5-di(propan-2-yloxy)phosphoryl-5-methylselanylpent-1-ene

C12H25O3PSe — CID 134919803

IUPAC5-di(propan-2-yloxy)phosphoryl-5-methylselanylpent-1-ene
SMILESC=CCCC([Se]C)P(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C12H25O3PSe/c1-7-8-9-12(17-6)16(13,14-10(2)3)15-11(4)5/h7,10-12H,1,8-9H2,2-6H3
InChIKeyUZBKMVJHNMSBAM-UHFFFAOYSA-N
MW327.26 g/mol
LogP4.07
Rot. Bonds9

About 5-di(propan-2-yloxy)phosphoryl-5-methylselanylpent-1-ene

5-di(propan-2-yloxy)phosphoryl-5-methylselanylpent-1-ene (PubChem CID 134919803) has the molecular formula C12H25O3PSe and a molecular weight of 327.26 g/mol. Its IUPAC name is 5-di(propan-2-yloxy)phosphoryl-5-methylselanylpent-1-ene.

Molecular Properties

Compound Name5-di(propan-2-yloxy)phosphoryl-5-methylselanylpent-1-ene
PubChem CID134919803
Molecular FormulaC12H25O3PSe
Molecular Weight327.26 g/mol
Exact Mass328.07
IUPAC Name5-di(propan-2-yloxy)phosphoryl-5-methylselanylpent-1-ene
SMILESC=CCCC([Se]C)P(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C12H25O3PSe/c1-7-8-9-12(17-6)16(13,14-10(2)3)15-11(4)5/h7,10-12H,1,8-9H2,2-6H3
InChIKeyUZBKMVJHNMSBAM-UHFFFAOYSA-N
XLogP4.07
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.26
LogP ≤ 54.07
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-di(propan-2-yloxy)phosphoryl-5-methylselanylpent-1-ene?
The IUPAC name of 5-di(propan-2-yloxy)phosphoryl-5-methylselanylpent-1-ene (CID 134919803) is 5-di(propan-2-yloxy)phosphoryl-5-methylselanylpent-1-ene.
What is the SMILES notation for 5-di(propan-2-yloxy)phosphoryl-5-methylselanylpent-1-ene?
The canonical SMILES for 5-di(propan-2-yloxy)phosphoryl-5-methylselanylpent-1-ene is C=CCCC([Se]C)P(=O)(OC(C)C)OC(C)C.
What is the InChIKey of 5-di(propan-2-yloxy)phosphoryl-5-methylselanylpent-1-ene?
The InChIKey is UZBKMVJHNMSBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25O3PSe/c1-7-8-9-12(17-6)16(13,14-10(2)3)15-11(4)5/h7,10-12H,1,8-9H2,2-6H3.
What are the key properties of 5-di(propan-2-yloxy)phosphoryl-5-methylselanylpent-1-ene?
5-di(propan-2-yloxy)phosphoryl-5-methylselanylpent-1-ene has a molecular weight of 327.26 g/mol, XLogP of 4.07, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-di(propan-2-yloxy)phosphoryl-5-methylselanylpent-1-ene is sourced from PubChem (CID 134919803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).