3-[(3-hydroxy-2-methylpropyl)diselanyl]-2-methylpropan-1-ol

C8H18O2Se2 — CID 543231

IUPAC3-[(3-hydroxy-2-methylpropyl)diselanyl]-2-methylpropan-1-ol
SMILESCC(CO)C[Se][Se]CC(C)CO
InChIInChI=1S/C8H18O2Se2/c1-7(3-9)5-11-12-6-8(2)4-10/h7-10H,3-6H2,1-2H3
InChIKeyLMFIVZQMIJHXHI-UHFFFAOYSA-N
MW304.15 g/mol
LogP0.40
Rot. Bonds7

About 3-[(3-hydroxy-2-methylpropyl)diselanyl]-2-methylpropan-1-ol

3-[(3-hydroxy-2-methylpropyl)diselanyl]-2-methylpropan-1-ol (PubChem CID 543231) has the molecular formula C8H18O2Se2 and a molecular weight of 304.15 g/mol. Its IUPAC name is 3-[(3-hydroxy-2-methylpropyl)diselanyl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-[(3-hydroxy-2-methylpropyl)diselanyl]-2-methylpropan-1-ol
PubChem CID543231
Molecular FormulaC8H18O2Se2
Molecular Weight304.15 g/mol
Exact Mass305.96
IUPAC Name3-[(3-hydroxy-2-methylpropyl)diselanyl]-2-methylpropan-1-ol
SMILESCC(CO)C[Se][Se]CC(C)CO
InChIInChI=1S/C8H18O2Se2/c1-7(3-9)5-11-12-6-8(2)4-10/h7-10H,3-6H2,1-2H3
InChIKeyLMFIVZQMIJHXHI-UHFFFAOYSA-N
XLogP0.40
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.15
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

ethane;2-methylpropane-1,3-diol
CID 87127502
2,4-dimethylpentane-1,5-diol
CID 10964552
2,6-dimethylheptane-1,7-diol
CID 12653721
2-methylbutan-1-ol;zirconium
CID 152608404
tetrakis(3-hydroxy-2-methylpropyl)azanium
CID 19093143
(2R,6R)-2,6-dimethylheptane-1,7-diol
CID 10534981
2,7-dimethyloctane-1,8-diol
CID 11008425
butane-1,2,3,4-tetrol;3-methylbutane-1,2,4-triol;2-methylpropane-1,3-diol
CID 159826635
(2R)-4-iodo-2-methylbutan-1-ol
CID 139766898
(2S,4R)-2,4,6-trimethylheptan-1-ol
CID 13109020
2-methyl-3-(methylamino)propan-1-ol
CID 23264324
carbanide;2-methylbutane-1,4-diol;titanium(2+)
CID 134981469

Frequently Asked Questions

What is the IUPAC name of 3-[(3-hydroxy-2-methylpropyl)diselanyl]-2-methylpropan-1-ol?
The IUPAC name of 3-[(3-hydroxy-2-methylpropyl)diselanyl]-2-methylpropan-1-ol (CID 543231) is 3-[(3-hydroxy-2-methylpropyl)diselanyl]-2-methylpropan-1-ol.
What is the SMILES notation for 3-[(3-hydroxy-2-methylpropyl)diselanyl]-2-methylpropan-1-ol?
The canonical SMILES for 3-[(3-hydroxy-2-methylpropyl)diselanyl]-2-methylpropan-1-ol is CC(CO)C[Se][Se]CC(C)CO.
What is the InChIKey of 3-[(3-hydroxy-2-methylpropyl)diselanyl]-2-methylpropan-1-ol?
The InChIKey is LMFIVZQMIJHXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2Se2/c1-7(3-9)5-11-12-6-8(2)4-10/h7-10H,3-6H2,1-2H3.
What are the key properties of 3-[(3-hydroxy-2-methylpropyl)diselanyl]-2-methylpropan-1-ol?
3-[(3-hydroxy-2-methylpropyl)diselanyl]-2-methylpropan-1-ol has a molecular weight of 304.15 g/mol, XLogP of 0.40, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-hydroxy-2-methylpropyl)diselanyl]-2-methylpropan-1-ol is sourced from PubChem (CID 543231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).