3-ethylselanylpropan-1-ol

C5H12OSe — CID 15778314

IUPAC3-ethylselanylpropan-1-ol
SMILESCC[Se]CCCO
InChIInChI=1S/C5H12OSe/c1-2-7-5-3-4-6/h6H,2-5H2,1H3
InChIKeyNIAJZIXZIBFORS-UHFFFAOYSA-N
MW167.11 g/mol
LogP0.93
Rot. Bonds4

About 3-ethylselanylpropan-1-ol

3-ethylselanylpropan-1-ol (PubChem CID 15778314) has the molecular formula C5H12OSe and a molecular weight of 167.11 g/mol. Its IUPAC name is 3-ethylselanylpropan-1-ol.

Molecular Properties

Compound Name3-ethylselanylpropan-1-ol
PubChem CID15778314
Molecular FormulaC5H12OSe
Molecular Weight167.11 g/mol
Exact Mass168.01
IUPAC Name3-ethylselanylpropan-1-ol
SMILESCC[Se]CCCO
InChIInChI=1S/C5H12OSe/c1-2-7-5-3-4-6/h6H,2-5H2,1H3
InChIKeyNIAJZIXZIBFORS-UHFFFAOYSA-N
XLogP0.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.11
LogP ≤ 50.93
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

tris(butan-1-ol);2-methylpropan-2-ol;titanium
CID 87900186
tris(butan-1-ol);titanium;bromide
CID 20523364
tetrakis(butan-1-ol);propane;titanium
CID 174520119
tetrakis(butan-1-ol);titanium;zirconium
CID 158276208
butan-1-ol
CID 20532113
(1,2,3,4-13C4)butan-1-ol
CID 71309697
butane;butane-1,4-diol
CID 160786697
butan-1-ol;ethanol;titanium;zirconium
CID 173180305
barium(2+);butan-1-ol;hydride;titanium
CID 174712606
tris(butan-1-ol);propane;titanium
CID 150243103
tris(butan-1-ol);ethanol;titanium;bromide;chloride
CID 161491945
octan-1-ol;titanium;trihydrate
CID 87862444

Frequently Asked Questions

What is the IUPAC name of 3-ethylselanylpropan-1-ol?
The IUPAC name of 3-ethylselanylpropan-1-ol (CID 15778314) is 3-ethylselanylpropan-1-ol.
What is the SMILES notation for 3-ethylselanylpropan-1-ol?
The canonical SMILES for 3-ethylselanylpropan-1-ol is CC[Se]CCCO.
What is the InChIKey of 3-ethylselanylpropan-1-ol?
The InChIKey is NIAJZIXZIBFORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12OSe/c1-2-7-5-3-4-6/h6H,2-5H2,1H3.
What are the key properties of 3-ethylselanylpropan-1-ol?
3-ethylselanylpropan-1-ol has a molecular weight of 167.11 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylselanylpropan-1-ol is sourced from PubChem (CID 15778314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).