(Z)-1-dibutoxyphosphorylselanylhex-1-ene

C14H29O3PSe — CID 134977103

IUPAC(Z)-1-dibutoxyphosphorylselanylhex-1-ene
SMILESCCCC/C=C\[Se]P(=O)(OCCCC)OCCCC
InChIInChI=1S/C14H29O3PSe/c1-4-7-10-11-14-19-18(15,16-12-8-5-2)17-13-9-6-3/h11,14H,4-10,12-13H2,1-3H3/b14-11-
InChIKeyJLSZBVZNFYZXGA-KAMYIIQDSA-N
MW355.32 g/mol
LogP5.14
Rot. Bonds13

About (Z)-1-dibutoxyphosphorylselanylhex-1-ene

(Z)-1-dibutoxyphosphorylselanylhex-1-ene (PubChem CID 134977103) has the molecular formula C14H29O3PSe and a molecular weight of 355.32 g/mol. Its IUPAC name is (Z)-1-dibutoxyphosphorylselanylhex-1-ene.

Molecular Properties

Compound Name(Z)-1-dibutoxyphosphorylselanylhex-1-ene
PubChem CID134977103
Molecular FormulaC14H29O3PSe
Molecular Weight355.32 g/mol
Exact Mass356.10
IUPAC Name(Z)-1-dibutoxyphosphorylselanylhex-1-ene
SMILESCCCC/C=C\[Se]P(=O)(OCCCC)OCCCC
InChIInChI=1S/C14H29O3PSe/c1-4-7-10-11-14-19-18(15,16-12-8-5-2)17-13-9-6-3/h11,14H,4-10,12-13H2,1-3H3/b14-11-
InChIKeyJLSZBVZNFYZXGA-KAMYIIQDSA-N
XLogP5.14
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.32
LogP ≤ 55.14
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': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-dibutoxyphosphorylselanylhex-1-ene?
The IUPAC name of (Z)-1-dibutoxyphosphorylselanylhex-1-ene (CID 134977103) is (Z)-1-dibutoxyphosphorylselanylhex-1-ene.
What is the SMILES notation for (Z)-1-dibutoxyphosphorylselanylhex-1-ene?
The canonical SMILES for (Z)-1-dibutoxyphosphorylselanylhex-1-ene is CCCC/C=C\[Se]P(=O)(OCCCC)OCCCC.
What is the InChIKey of (Z)-1-dibutoxyphosphorylselanylhex-1-ene?
The InChIKey is JLSZBVZNFYZXGA-KAMYIIQDSA-N. The full InChI is InChI=1S/C14H29O3PSe/c1-4-7-10-11-14-19-18(15,16-12-8-5-2)17-13-9-6-3/h11,14H,4-10,12-13H2,1-3H3/b14-11-.
What are the key properties of (Z)-1-dibutoxyphosphorylselanylhex-1-ene?
(Z)-1-dibutoxyphosphorylselanylhex-1-ene has a molecular weight of 355.32 g/mol, XLogP of 5.14, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-dibutoxyphosphorylselanylhex-1-ene is sourced from PubChem (CID 134977103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).