5-butylselanyl-5-di(propan-2-yloxy)phosphorylpent-1-ene

C15H31O3PSe — CID 134919665

IUPAC5-butylselanyl-5-di(propan-2-yloxy)phosphorylpent-1-ene
SMILESC=CCCC([Se]CCCC)P(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C15H31O3PSe/c1-7-9-11-15(20-12-10-8-2)19(16,17-13(3)4)18-14(5)6/h7,13-15H,1,8-12H2,2-6H3
InChIKeyHZXQFHJRDRBWAV-UHFFFAOYSA-N
MW369.34 g/mol
LogP5.24
Rot. Bonds12

About 5-butylselanyl-5-di(propan-2-yloxy)phosphorylpent-1-ene

5-butylselanyl-5-di(propan-2-yloxy)phosphorylpent-1-ene (PubChem CID 134919665) has the molecular formula C15H31O3PSe and a molecular weight of 369.34 g/mol. Its IUPAC name is 5-butylselanyl-5-di(propan-2-yloxy)phosphorylpent-1-ene.

Molecular Properties

Compound Name5-butylselanyl-5-di(propan-2-yloxy)phosphorylpent-1-ene
PubChem CID134919665
Molecular FormulaC15H31O3PSe
Molecular Weight369.34 g/mol
Exact Mass370.12
IUPAC Name5-butylselanyl-5-di(propan-2-yloxy)phosphorylpent-1-ene
SMILESC=CCCC([Se]CCCC)P(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C15H31O3PSe/c1-7-9-11-15(20-12-10-8-2)19(16,17-13(3)4)18-14(5)6/h7,13-15H,1,8-12H2,2-6H3
InChIKeyHZXQFHJRDRBWAV-UHFFFAOYSA-N
XLogP5.24
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.34
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-butylselanyl-5-di(propan-2-yloxy)phosphorylpent-1-ene?
The IUPAC name of 5-butylselanyl-5-di(propan-2-yloxy)phosphorylpent-1-ene (CID 134919665) is 5-butylselanyl-5-di(propan-2-yloxy)phosphorylpent-1-ene.
What is the SMILES notation for 5-butylselanyl-5-di(propan-2-yloxy)phosphorylpent-1-ene?
The canonical SMILES for 5-butylselanyl-5-di(propan-2-yloxy)phosphorylpent-1-ene is C=CCCC([Se]CCCC)P(=O)(OC(C)C)OC(C)C.
What is the InChIKey of 5-butylselanyl-5-di(propan-2-yloxy)phosphorylpent-1-ene?
The InChIKey is HZXQFHJRDRBWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31O3PSe/c1-7-9-11-15(20-12-10-8-2)19(16,17-13(3)4)18-14(5)6/h7,13-15H,1,8-12H2,2-6H3.
What are the key properties of 5-butylselanyl-5-di(propan-2-yloxy)phosphorylpent-1-ene?
5-butylselanyl-5-di(propan-2-yloxy)phosphorylpent-1-ene has a molecular weight of 369.34 g/mol, XLogP of 5.24, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butylselanyl-5-di(propan-2-yloxy)phosphorylpent-1-ene is sourced from PubChem (CID 134919665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).