1-phenylselanyloct-7-en-4-ol

C14H20OSe — CID 101105834

IUPAC1-phenylselanyloct-7-en-4-ol
SMILESC=CCCC(O)CCC[Se]c1ccccc1
InChIInChI=1S/C14H20OSe/c1-2-3-8-13(15)9-7-12-16-14-10-5-4-6-11-14/h2,4-6,10-11,13,15H,1,3,7-9,12H2
InChIKeyJONZCFRVWYJSRD-UHFFFAOYSA-N
MW283.27 g/mol
LogP2.54
Rot. Bonds8

About 1-phenylselanyloct-7-en-4-ol

1-phenylselanyloct-7-en-4-ol (PubChem CID 101105834) has the molecular formula C14H20OSe and a molecular weight of 283.27 g/mol. Its IUPAC name is 1-phenylselanyloct-7-en-4-ol.

Molecular Properties

Compound Name1-phenylselanyloct-7-en-4-ol
PubChem CID101105834
Molecular FormulaC14H20OSe
Molecular Weight283.27 g/mol
Exact Mass284.07
IUPAC Name1-phenylselanyloct-7-en-4-ol
SMILESC=CCCC(O)CCC[Se]c1ccccc1
InChIInChI=1S/C14H20OSe/c1-2-3-8-13(15)9-7-12-16-14-10-5-4-6-11-14/h2,4-6,10-11,13,15H,1,3,7-9,12H2
InChIKeyJONZCFRVWYJSRD-UHFFFAOYSA-N
XLogP2.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.27
LogP ≤ 52.54
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-Phenylselanylpropan-2-ol
CID 11183499
(2S,3S,5E,7E)-3-methyl-8-phenylocta-5,7-dien-2-ol
CID 102318874
(2S,3S,5Z,7E)-3-methyl-8-phenylocta-5,7-dien-2-ol
CID 102318875
Hydroxypropyl phenyl selenide
CID 10656305
2-(Phenylselanyl)cyclohexan-1-ol
CID 12531121
Npc112006
CID 21965192
1,1,1-Trifluoro-3-phenylselanylpropan-2-ol
CID 134993277
trans-(1S,2S)-2-(4-fluorophenyl)selanylcyclohexan-1-ol
CID 162399931
1-Phenylselanyldec-9-en-2-ol
CID 11544113
2-Octanol, 1-(phenylseleno)-
CID 11832994
1-Phenyltellanyldecan-2-ol
CID 12654966
2-(Phenylselanyl)prop-2-en-1-ol
CID 13514485

Frequently Asked Questions

What is the IUPAC name of 1-phenylselanyloct-7-en-4-ol?
The IUPAC name of 1-phenylselanyloct-7-en-4-ol (CID 101105834) is 1-phenylselanyloct-7-en-4-ol.
What is the SMILES notation for 1-phenylselanyloct-7-en-4-ol?
The canonical SMILES for 1-phenylselanyloct-7-en-4-ol is C=CCCC(O)CCC[Se]c1ccccc1.
What is the InChIKey of 1-phenylselanyloct-7-en-4-ol?
The InChIKey is JONZCFRVWYJSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20OSe/c1-2-3-8-13(15)9-7-12-16-14-10-5-4-6-11-14/h2,4-6,10-11,13,15H,1,3,7-9,12H2.
What are the key properties of 1-phenylselanyloct-7-en-4-ol?
1-phenylselanyloct-7-en-4-ol has a molecular weight of 283.27 g/mol, XLogP of 2.54, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylselanyloct-7-en-4-ol is sourced from PubChem (CID 101105834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).