(2S)-2-methylbutane-1-selenol

C5H12Se — CID 175184280

IUPAC(2S)-2-methylbutane-1-selenol
SMILESCC[C@H](C)C[SeH]
InChIInChI=1S/C5H12Se/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3/t5-/m0/s1
InChIKeyGCZBYLZQXJDYSS-YFKPBYRVSA-N
MW151.11 g/mol
LogP1.35
Rot. Bonds2

About (2S)-2-methylbutane-1-selenol

(2S)-2-methylbutane-1-selenol (PubChem CID 175184280) has the molecular formula C5H12Se and a molecular weight of 151.11 g/mol. Its IUPAC name is (2S)-2-methylbutane-1-selenol.

Molecular Properties

Compound Name(2S)-2-methylbutane-1-selenol
PubChem CID175184280
Molecular FormulaC5H12Se
Molecular Weight151.11 g/mol
Exact Mass152.01
IUPAC Name(2S)-2-methylbutane-1-selenol
SMILESCC[C@H](C)C[SeH]
InChIInChI=1S/C5H12Se/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3/t5-/m0/s1
InChIKeyGCZBYLZQXJDYSS-YFKPBYRVSA-N
XLogP1.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.11
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

methane;3-methylpentane
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3-methylpentane;propane
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methane;3-methylpentane
CID 153359275
ethane;3-methylpentane
CID 91147782
(3R,7R)-3,7-dimethylnonane
CID 42626759
(2S)-N-ethyl-N,2-dimethylbutan-1-amine
CID 89086806
N,N-dimethylmethanamine;3-methylheptane
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3,5-dimethylheptane;ethane
CID 172617343
N',2-dimethyl-N'-(2-methylbutyl)propane-1,3-diamine
CID 43295447
(3S)-N-ethyl-N,3-dimethylpentan-1-amine
CID 89357634
N-(3-bromopropyl)-N,2-dimethylbutan-1-amine
CID 61288758

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methylbutane-1-selenol?
The IUPAC name of (2S)-2-methylbutane-1-selenol (CID 175184280) is (2S)-2-methylbutane-1-selenol.
What is the SMILES notation for (2S)-2-methylbutane-1-selenol?
The canonical SMILES for (2S)-2-methylbutane-1-selenol is CC[C@H](C)C[SeH].
What is the InChIKey of (2S)-2-methylbutane-1-selenol?
The InChIKey is GCZBYLZQXJDYSS-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H12Se/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3/t5-/m0/s1.
What are the key properties of (2S)-2-methylbutane-1-selenol?
(2S)-2-methylbutane-1-selenol has a molecular weight of 151.11 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methylbutane-1-selenol is sourced from PubChem (CID 175184280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).