4-methylselanylbutan-2-ol

C5H12OSe — CID 58641031

IUPAC4-methylselanylbutan-2-ol
SMILESC[Se]CCC(C)O
InChIInChI=1S/C5H12OSe/c1-5(6)3-4-7-2/h5-6H,3-4H2,1-2H3
InChIKeyMNAYRJDVLCDVQO-UHFFFAOYSA-N
MW167.11 g/mol
LogP0.93
Rot. Bonds3

About 4-methylselanylbutan-2-ol

4-methylselanylbutan-2-ol (PubChem CID 58641031) has the molecular formula C5H12OSe and a molecular weight of 167.11 g/mol. Its IUPAC name is 4-methylselanylbutan-2-ol.

Molecular Properties

Compound Name4-methylselanylbutan-2-ol
PubChem CID58641031
Molecular FormulaC5H12OSe
Molecular Weight167.11 g/mol
Exact Mass168.01
IUPAC Name4-methylselanylbutan-2-ol
SMILESC[Se]CCC(C)O
InChIInChI=1S/C5H12OSe/c1-5(6)3-4-7-2/h5-6H,3-4H2,1-2H3
InChIKeyMNAYRJDVLCDVQO-UHFFFAOYSA-N
XLogP0.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

ethane;hexane-2,5-diol
CID 143963822
(2R)-pentan-2-ol
CID 7014876
pentadecane-2,5,8,11,14-pentol
CID 175190041
butane-1,3-diol
CID 159666523
1,2-bis(methylselanyl)ethane
CID 11356362
(2R)-4-iodobutan-2-ol
CID 13089080
ethane;5-methylhexan-2-ol
CID 144624886
(2R)-8-fluorooctan-2-ol
CID 54347912
fluoro(methylselanyl)methane
CID 86142501
butane-1,3-diol;ethanol
CID 88835658
(5R)-5-aminohexan-2-ol
CID 144692574
acetic acid;hexane-2,5-diol
CID 71365730

Frequently Asked Questions

What is the IUPAC name of 4-methylselanylbutan-2-ol?
The IUPAC name of 4-methylselanylbutan-2-ol (CID 58641031) is 4-methylselanylbutan-2-ol.
What is the SMILES notation for 4-methylselanylbutan-2-ol?
The canonical SMILES for 4-methylselanylbutan-2-ol is C[Se]CCC(C)O.
What is the InChIKey of 4-methylselanylbutan-2-ol?
The InChIKey is MNAYRJDVLCDVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12OSe/c1-5(6)3-4-7-2/h5-6H,3-4H2,1-2H3.
What are the key properties of 4-methylselanylbutan-2-ol?
4-methylselanylbutan-2-ol has a molecular weight of 167.11 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylselanylbutan-2-ol is sourced from PubChem (CID 58641031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).