(Z)-2-butylselanyl-1-diethoxyphosphorylhex-1-ene

C14H29O3PSe — CID 11057373

IUPAC(Z)-2-butylselanyl-1-diethoxyphosphorylhex-1-ene
SMILESCCCC[Se]/C(=C\P(=O)(OCC)OCC)CCCC
InChIInChI=1S/C14H29O3PSe/c1-5-9-11-14(19-12-10-6-2)13-18(15,16-7-3)17-8-4/h13H,5-12H2,1-4H3/b14-13-
InChIKeyGSBUWVIKOSJIPJ-YPKPFQOOSA-N
MW355.32 g/mol
LogP5.21
Rot. Bonds12

About (Z)-2-butylselanyl-1-diethoxyphosphorylhex-1-ene

(Z)-2-butylselanyl-1-diethoxyphosphorylhex-1-ene (PubChem CID 11057373) has the molecular formula C14H29O3PSe and a molecular weight of 355.32 g/mol. Its IUPAC name is (Z)-2-butylselanyl-1-diethoxyphosphorylhex-1-ene.

Molecular Properties

Compound Name(Z)-2-butylselanyl-1-diethoxyphosphorylhex-1-ene
PubChem CID11057373
Molecular FormulaC14H29O3PSe
Molecular Weight355.32 g/mol
Exact Mass356.10
IUPAC Name(Z)-2-butylselanyl-1-diethoxyphosphorylhex-1-ene
SMILESCCCC[Se]/C(=C\P(=O)(OCC)OCC)CCCC
InChIInChI=1S/C14H29O3PSe/c1-5-9-11-14(19-12-10-6-2)13-18(15,16-7-3)17-8-4/h13H,5-12H2,1-4H3/b14-13-
InChIKeyGSBUWVIKOSJIPJ-YPKPFQOOSA-N
XLogP5.21
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.32
LogP ≤ 55.21
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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Related Compounds

5-(diethoxyphosphorylmethylidene)nonane
CID 10660090
(E)-1-diethoxyphosphoryl-2-methylhept-1-ene
CID 10753066
(E,5E)-5-(diethoxyphosphorylmethylidene)-4-ethyldec-3-ene
CID 11186158
(E)-2-diethoxyphosphoryl-1-hexoxyethenol
CID 46944644
[(E,3E)-3-(diethoxyphosphorylmethylidene)hept-1-enyl]benzene
CID 134934285
(2E)-2-(diethoxyphosphorylmethylidene)-1-(4-methoxyphenyl)hexan-1-one
CID 10937121
(Z)-3-diethoxyphosphorylhept-2-ene
CID 101401796
Se-butyl pentaneselenoate
CID 10798996
(E)-1,2-bis(diethoxyphosphoryl)prop-1-ene
CID 14294563
2-diethoxyphosphoryl-1-ethoxyethenol
CID 15972171
(E,4E)-4-(diethoxyphosphorylmethylidene)-1-phenyloct-1-en-3-one
CID 11810245
N-(2-diethoxyphosphorylethyl)pentanamide
CID 150373666

Frequently Asked Questions

What is the IUPAC name of (Z)-2-butylselanyl-1-diethoxyphosphorylhex-1-ene?
The IUPAC name of (Z)-2-butylselanyl-1-diethoxyphosphorylhex-1-ene (CID 11057373) is (Z)-2-butylselanyl-1-diethoxyphosphorylhex-1-ene.
What is the SMILES notation for (Z)-2-butylselanyl-1-diethoxyphosphorylhex-1-ene?
The canonical SMILES for (Z)-2-butylselanyl-1-diethoxyphosphorylhex-1-ene is CCCC[Se]/C(=C\P(=O)(OCC)OCC)CCCC.
What is the InChIKey of (Z)-2-butylselanyl-1-diethoxyphosphorylhex-1-ene?
The InChIKey is GSBUWVIKOSJIPJ-YPKPFQOOSA-N. The full InChI is InChI=1S/C14H29O3PSe/c1-5-9-11-14(19-12-10-6-2)13-18(15,16-7-3)17-8-4/h13H,5-12H2,1-4H3/b14-13-.
What are the key properties of (Z)-2-butylselanyl-1-diethoxyphosphorylhex-1-ene?
(Z)-2-butylselanyl-1-diethoxyphosphorylhex-1-ene has a molecular weight of 355.32 g/mol, XLogP of 5.21, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-butylselanyl-1-diethoxyphosphorylhex-1-ene is sourced from PubChem (CID 11057373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).