(2S)-2-phenylselanylpent-4-en-1-ol

C11H14OSe — CID 23635680

IUPAC(2S)-2-phenylselanylpent-4-en-1-ol
SMILESC=CC[C@@H](CO)[Se]c1ccccc1
InChIInChI=1S/C11H14OSe/c1-2-6-11(9-12)13-10-7-4-3-5-8-10/h2-5,7-8,11-12H,1,6,9H2/t11-/m0/s1
InChIKeyKJYMZFXIRFTHGX-NSHDSACASA-N
MW241.19 g/mol
LogP1.37
Rot. Bonds5

About (2S)-2-phenylselanylpent-4-en-1-ol

(2S)-2-phenylselanylpent-4-en-1-ol (PubChem CID 23635680) has the molecular formula C11H14OSe and a molecular weight of 241.19 g/mol. Its IUPAC name is (2S)-2-phenylselanylpent-4-en-1-ol.

Molecular Properties

Compound Name(2S)-2-phenylselanylpent-4-en-1-ol
PubChem CID23635680
Molecular FormulaC11H14OSe
Molecular Weight241.19 g/mol
Exact Mass242.02
IUPAC Name(2S)-2-phenylselanylpent-4-en-1-ol
SMILESC=CC[C@@H](CO)[Se]c1ccccc1
InChIInChI=1S/C11H14OSe/c1-2-6-11(9-12)13-10-7-4-3-5-8-10/h2-5,7-8,11-12H,1,6,9H2/t11-/m0/s1
InChIKeyKJYMZFXIRFTHGX-NSHDSACASA-N
XLogP1.37
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.19
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-phenylselanylbutanal
CID 11831146
CID 25267224
CID 25267224
(2R,4S)-4,5-dihydroxy-2-phenylselanylpentanal
CID 20871288
2-(phenoxymethyl)pent-4-en-1-ol
CID 15525340
(2R,3S)-2,3-dimethyl-4,4-bis(phenylselanyl)butan-1-ol
CID 10597762
(3R)-3-phenylhex-5-en-1-ol
CID 10419714
pent-4-en-2-yl phenylselanylformate
CID 10333274
[(4S,5S)-5-phenylocta-1,7-dien-4-yl]benzene
CID 97429057
4-anilinohept-6-en-1-ol
CID 11564698
(1-phenyl-2-prop-2-enoxyethyl)selanylbenzene
CID 10710562
(2R)-1-phenylpent-4-en-2-ol
CID 11309688
3-phenylhexa-1,5-dien-2-ol
CID 173444348

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenylselanylpent-4-en-1-ol?
The IUPAC name of (2S)-2-phenylselanylpent-4-en-1-ol (CID 23635680) is (2S)-2-phenylselanylpent-4-en-1-ol.
What is the SMILES notation for (2S)-2-phenylselanylpent-4-en-1-ol?
The canonical SMILES for (2S)-2-phenylselanylpent-4-en-1-ol is C=CC[C@@H](CO)[Se]c1ccccc1.
What is the InChIKey of (2S)-2-phenylselanylpent-4-en-1-ol?
The InChIKey is KJYMZFXIRFTHGX-NSHDSACASA-N. The full InChI is InChI=1S/C11H14OSe/c1-2-6-11(9-12)13-10-7-4-3-5-8-10/h2-5,7-8,11-12H,1,6,9H2/t11-/m0/s1.
What are the key properties of (2S)-2-phenylselanylpent-4-en-1-ol?
(2S)-2-phenylselanylpent-4-en-1-ol has a molecular weight of 241.19 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenylselanylpent-4-en-1-ol is sourced from PubChem (CID 23635680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).