(E)-3-phenylselanylnon-3-en-2-ol

C15H22OSe — CID 177482201

IUPAC(E)-3-phenylselanylnon-3-en-2-ol
SMILESCCCCC/C=C(/[Se]c1ccccc1)C(C)O
InChIInChI=1S/C15H22OSe/c1-3-4-5-9-12-15(13(2)16)17-14-10-7-6-8-11-14/h6-8,10-13,16H,3-5,9H2,1-2H3/b15-12+
InChIKeyKAFIGMAIJAKTSR-NTCAYCPXSA-N
MW297.30 g/mol
LogP2.86
Rot. Bonds7

About (E)-3-phenylselanylnon-3-en-2-ol

(E)-3-phenylselanylnon-3-en-2-ol (PubChem CID 177482201) has the molecular formula C15H22OSe and a molecular weight of 297.30 g/mol. Its IUPAC name is (E)-3-phenylselanylnon-3-en-2-ol.

Molecular Properties

Compound Name(E)-3-phenylselanylnon-3-en-2-ol
PubChem CID177482201
Molecular FormulaC15H22OSe
Molecular Weight297.30 g/mol
Exact Mass298.08
IUPAC Name(E)-3-phenylselanylnon-3-en-2-ol
SMILESCCCCC/C=C(/[Se]c1ccccc1)C(C)O
InChIInChI=1S/C15H22OSe/c1-3-4-5-9-12-15(13(2)16)17-14-10-7-6-8-11-14/h6-8,10-13,16H,3-5,9H2,1-2H3/b15-12+
InChIKeyKAFIGMAIJAKTSR-NTCAYCPXSA-N
XLogP2.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

[(E)-non-3-en-3-yl]selanylbenzene
CID 102123205
[(Z)-1-phenylselanyloct-2-en-2-yl]selanylbenzene
CID 54763336
[(Z)-dodec-5-en-5-yl]selanylbenzene
CID 134921010
tributyl-[(E)-1-phenylselanylhept-1-enyl]stannane
CID 15314212
[(E)-dec-5-en-5-yl]selanylbenzene
CID 12741495
(E)-4-(benzenesulfinyl)-3-phenylselanylundec-3-en-2-ol
CID 102275515
(E)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]non-3-en-2-ol
CID 56652865
1-chloro-4-[(E)-1-phenylselanylhex-1-enyl]benzene
CID 11337041
methyl (E)-2-phenyloct-2-enoate
CID 13480316
methyl (Z)-2-phenyloct-2-enoate
CID 13480315
(2S)-1-phenylselanyloctan-2-ol
CID 71415328
hexane;propan-2-ol;toluene
CID 70146833

Frequently Asked Questions

What is the IUPAC name of (E)-3-phenylselanylnon-3-en-2-ol?
The IUPAC name of (E)-3-phenylselanylnon-3-en-2-ol (CID 177482201) is (E)-3-phenylselanylnon-3-en-2-ol.
What is the SMILES notation for (E)-3-phenylselanylnon-3-en-2-ol?
The canonical SMILES for (E)-3-phenylselanylnon-3-en-2-ol is CCCCC/C=C(/[Se]c1ccccc1)C(C)O.
What is the InChIKey of (E)-3-phenylselanylnon-3-en-2-ol?
The InChIKey is KAFIGMAIJAKTSR-NTCAYCPXSA-N. The full InChI is InChI=1S/C15H22OSe/c1-3-4-5-9-12-15(13(2)16)17-14-10-7-6-8-11-14/h6-8,10-13,16H,3-5,9H2,1-2H3/b15-12+.
What are the key properties of (E)-3-phenylselanylnon-3-en-2-ol?
(E)-3-phenylselanylnon-3-en-2-ol has a molecular weight of 297.30 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-phenylselanylnon-3-en-2-ol is sourced from PubChem (CID 177482201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).