(Z)-1-di(propan-2-yloxy)phosphorylselanylhex-1-ene

C12H25O3PSe — CID 15425444

IUPAC(Z)-1-di(propan-2-yloxy)phosphorylselanylhex-1-ene
SMILESCCCC/C=C\[Se]P(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C12H25O3PSe/c1-6-7-8-9-10-17-16(13,14-11(2)3)15-12(4)5/h9-12H,6-8H2,1-5H3/b10-9-
InChIKeyZQHACLKMWAFHKI-KTKRTIGZSA-N
MW327.26 g/mol
LogP4.35
Rot. Bonds9

About (Z)-1-di(propan-2-yloxy)phosphorylselanylhex-1-ene

(Z)-1-di(propan-2-yloxy)phosphorylselanylhex-1-ene (PubChem CID 15425444) has the molecular formula C12H25O3PSe and a molecular weight of 327.26 g/mol. Its IUPAC name is (Z)-1-di(propan-2-yloxy)phosphorylselanylhex-1-ene.

Molecular Properties

Compound Name(Z)-1-di(propan-2-yloxy)phosphorylselanylhex-1-ene
PubChem CID15425444
Molecular FormulaC12H25O3PSe
Molecular Weight327.26 g/mol
Exact Mass328.07
IUPAC Name(Z)-1-di(propan-2-yloxy)phosphorylselanylhex-1-ene
SMILESCCCC/C=C\[Se]P(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C12H25O3PSe/c1-6-7-8-9-10-17-16(13,14-11(2)3)15-12(4)5/h9-12H,6-8H2,1-5H3/b10-9-
InChIKeyZQHACLKMWAFHKI-KTKRTIGZSA-N
XLogP4.35
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 ≤ 54.35
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-Diethoxyphosphoryl-5-methylselanylpent-1-ene
CID 15254223
4-Bis(prop-1-en-2-yl)phosphoryloxypent-1-ene
CID 11600958
(Z)-1-diethoxyphosphorylselanylhex-1-ene
CID 15425443
5-Butylselanyl-5-diethoxyphosphorylpent-1-ene
CID 134919637
5-Butylselanyl-5-di(propan-2-yloxy)phosphorylpent-1-ene
CID 134919665
5-Di(propan-2-yloxy)phosphoryl-5-methylselanylpent-1-ene
CID 134919803
(Z)-1-dibutoxyphosphorylselanylhex-1-ene
CID 134977103
(Z)-1-dimethoxyphosphorylselanylhex-1-ene
CID 134978394
Oxo-pent-4-enyl-propan-2-yloxyphosphanium
CID 57242365
Butan-2-yloxy(pent-4-enyl)phosphinic acid
CID 87459659
Tris(pent-4-en-2-yl) phosphate
CID 88443757
Oxo-pent-4-en-2-yl-propan-2-yloxyphosphanium
CID 88759836

Frequently Asked Questions

What is the IUPAC name of (Z)-1-di(propan-2-yloxy)phosphorylselanylhex-1-ene?
The IUPAC name of (Z)-1-di(propan-2-yloxy)phosphorylselanylhex-1-ene (CID 15425444) is (Z)-1-di(propan-2-yloxy)phosphorylselanylhex-1-ene.
What is the SMILES notation for (Z)-1-di(propan-2-yloxy)phosphorylselanylhex-1-ene?
The canonical SMILES for (Z)-1-di(propan-2-yloxy)phosphorylselanylhex-1-ene is CCCC/C=C\[Se]P(=O)(OC(C)C)OC(C)C.
What is the InChIKey of (Z)-1-di(propan-2-yloxy)phosphorylselanylhex-1-ene?
The InChIKey is ZQHACLKMWAFHKI-KTKRTIGZSA-N. The full InChI is InChI=1S/C12H25O3PSe/c1-6-7-8-9-10-17-16(13,14-11(2)3)15-12(4)5/h9-12H,6-8H2,1-5H3/b10-9-.
What are the key properties of (Z)-1-di(propan-2-yloxy)phosphorylselanylhex-1-ene?
(Z)-1-di(propan-2-yloxy)phosphorylselanylhex-1-ene has a molecular weight of 327.26 g/mol, XLogP of 4.35, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-di(propan-2-yloxy)phosphorylselanylhex-1-ene is sourced from PubChem (CID 15425444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).