3,3-dimethyl-1-phenylselanylbutan-2-ol

C12H18OSe — CID 132581432

IUPAC3,3-dimethyl-1-phenylselanylbutan-2-ol
SMILESCC(C)(C)C(O)C[Se]c1ccccc1
InChIInChI=1S/C12H18OSe/c1-12(2,3)11(13)9-14-10-7-5-4-6-8-10/h4-8,11,13H,9H2,1-3H3
InChIKeyWSCFJAHSGHCLCE-UHFFFAOYSA-N
MW257.23 g/mol
LogP1.84
Rot. Bonds3

About 3,3-dimethyl-1-phenylselanylbutan-2-ol

3,3-dimethyl-1-phenylselanylbutan-2-ol (PubChem CID 132581432) has the molecular formula C12H18OSe and a molecular weight of 257.23 g/mol. Its IUPAC name is 3,3-dimethyl-1-phenylselanylbutan-2-ol.

Molecular Properties

Compound Name3,3-dimethyl-1-phenylselanylbutan-2-ol
PubChem CID132581432
Molecular FormulaC12H18OSe
Molecular Weight257.23 g/mol
Exact Mass258.05
IUPAC Name3,3-dimethyl-1-phenylselanylbutan-2-ol
SMILESCC(C)(C)C(O)C[Se]c1ccccc1
InChIInChI=1S/C12H18OSe/c1-12(2,3)11(13)9-14-10-7-5-4-6-8-10/h4-8,11,13H,9H2,1-3H3
InChIKeyWSCFJAHSGHCLCE-UHFFFAOYSA-N
XLogP1.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.23
LogP ≤ 51.84
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

1-Phenylselanylpropan-2-ol
CID 11183499
Hydroxypropyl phenyl selenide
CID 10656305
4,4-Dimethyl-1-phenyl-1-pentyn-3-ol
CID 11816310
2-(Phenylselanyl)cyclohexan-1-ol
CID 12531121
2,2-Dimethyl-5-phenylpent-4-en-1-ol
CID 101963861
(5E,7E)-2,2-dimethyl-8-phenylocta-5,7-dien-3-ol
CID 10585573
2-Octanol, 1-(phenylseleno)-
CID 11832994
4-Phenylselanylbutan-2-ol
CID 14069480
6-Phenylhex-5-en-2-ol
CID 10261622
Ethanol, 2-(phenylseleno)-
CID 11030856
(E)-2,2-dimethyl-6-phenylhex-5-en-3-ol
CID 11424265
trans-(1S,2S)-2-phenylselanylcyclohexan-1-ol
CID 11436759

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-phenylselanylbutan-2-ol?
The IUPAC name of 3,3-dimethyl-1-phenylselanylbutan-2-ol (CID 132581432) is 3,3-dimethyl-1-phenylselanylbutan-2-ol.
What is the SMILES notation for 3,3-dimethyl-1-phenylselanylbutan-2-ol?
The canonical SMILES for 3,3-dimethyl-1-phenylselanylbutan-2-ol is CC(C)(C)C(O)C[Se]c1ccccc1.
What is the InChIKey of 3,3-dimethyl-1-phenylselanylbutan-2-ol?
The InChIKey is WSCFJAHSGHCLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18OSe/c1-12(2,3)11(13)9-14-10-7-5-4-6-8-10/h4-8,11,13H,9H2,1-3H3.
What are the key properties of 3,3-dimethyl-1-phenylselanylbutan-2-ol?
3,3-dimethyl-1-phenylselanylbutan-2-ol has a molecular weight of 257.23 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-phenylselanylbutan-2-ol is sourced from PubChem (CID 132581432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).