CID 59102179

C5H9OSe — CID 59102179

IUPAC—
SMILES[Se]C1CCCCO1
InChIInChI=1S/C5H9OSe/c7-5-3-1-2-4-6-5/h5H,1-4H2
InChIKeySLYOHUMUSPHCKS-UHFFFAOYSA-N
MW164.09 g/mol
LogP0.68
Rot. Bonds

About CID 59102179

CID 59102179 (PubChem CID 59102179) has the molecular formula C5H9OSe and a molecular weight of 164.09 g/mol.

Molecular Properties

Compound NameCID 59102179
PubChem CID59102179
Molecular FormulaC5H9OSe
Molecular Weight164.09 g/mol
Exact Mass164.98
IUPAC Name—
SMILES[Se]C1CCCCO1
InChIInChI=1S/C5H9OSe/c7-5-3-1-2-4-6-5/h5H,1-4H2
InChIKeySLYOHUMUSPHCKS-UHFFFAOYSA-N
XLogP0.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.09
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

cobalt(3+);oxane-2-thiolate
CID 156663958
2-methyloxane;hydrochloride
CID 141105834
2-(oxan-2-ylmethyl)oxane
CID 67860654
2,6,13,17-tetraoxatricyclo[16.4.0.07,12]docosane
CID 23848053
[(2S)-oxan-2-yl]methanol
CID 6950811
chloro(oxan-2-yl)alumane
CID 173043592
oxan-2-yl(sulfanylidene)silane
CID 173279385
2-methyloxane;propane
CID 171074580
(2S)-2-tert-butyloxane
CID 118633229
(2R)-oxane-2-carbaldehyde
CID 12648700
(2S)-2-(bromomethyl)oxane
CID 13022883
(2R)-N,N-dimethyloxan-2-amine
CID 92983084

Frequently Asked Questions

What is the IUPAC name of CID 59102179?
The IUPAC name of CID 59102179 (CID 59102179) is not available.
What is the SMILES notation for CID 59102179?
The canonical SMILES for CID 59102179 is [Se]C1CCCCO1.
What is the InChIKey of CID 59102179?
The InChIKey is SLYOHUMUSPHCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9OSe/c7-5-3-1-2-4-6-5/h5H,1-4H2.
What are the key properties of CID 59102179?
CID 59102179 has a molecular weight of 164.09 g/mol, XLogP of 0.68, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59102179 is sourced from PubChem (CID 59102179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).