(2R,3S)-2,3-dimethyl-4,4-bis(phenylselanyl)butan-1-ol

C18H22OSe2 — CID 10597762

IUPAC(2R,3S)-2,3-dimethyl-4,4-bis(phenylselanyl)butan-1-ol
SMILESC[C@H](C([Se]c1ccccc1)[Se]c1ccccc1)[C@@H](C)CO
InChIInChI=1S/C18H22OSe2/c1-14(13-19)15(2)18(20-16-9-5-3-6-10-16)21-17-11-7-4-8-12-17/h3-12,14-15,18-19H,13H2,1-2H3/t14-,15-/m0/s1
InChIKeyKOZHHLYBTCDAGL-GJZGRUSLSA-N
MW412.29 g/mol
LogP2.06
Rot. Bonds7

About (2R,3S)-2,3-dimethyl-4,4-bis(phenylselanyl)butan-1-ol

(2R,3S)-2,3-dimethyl-4,4-bis(phenylselanyl)butan-1-ol (PubChem CID 10597762) has the molecular formula C18H22OSe2 and a molecular weight of 412.29 g/mol. Its IUPAC name is (2R,3S)-2,3-dimethyl-4,4-bis(phenylselanyl)butan-1-ol.

Molecular Properties

Compound Name(2R,3S)-2,3-dimethyl-4,4-bis(phenylselanyl)butan-1-ol
PubChem CID10597762
Molecular FormulaC18H22OSe2
Molecular Weight412.29 g/mol
Exact Mass414.00
IUPAC Name(2R,3S)-2,3-dimethyl-4,4-bis(phenylselanyl)butan-1-ol
SMILESC[C@H](C([Se]c1ccccc1)[Se]c1ccccc1)[C@@H](C)CO
InChIInChI=1S/C18H22OSe2/c1-14(13-19)15(2)18(20-16-9-5-3-6-10-16)21-17-11-7-4-8-12-17/h3-12,14-15,18-19H,13H2,1-2H3/t14-,15-/m0/s1
InChIKeyKOZHHLYBTCDAGL-GJZGRUSLSA-N
XLogP2.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.29
LogP ≤ 52.06
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

(2R)-1,1-bis(phenylselanyl)propan-2-ol
CID 71415322
tert-butyl-[(2R,3S)-2,3-dimethyl-4,4-bis(phenylselanyl)butoxy]-dimethylsilane
CID 10720890
3-methoxy-2-phenylselanylbutan-1-ol
CID 10890597
benzoic acid;2,3,4,5-tetramethylhexane-1,6-diol
CID 174429381
ethane;(2S)-2-phenylpropan-1-ol
CID 142206535
ethane;(2R)-2-phenylpropan-1-ol
CID 160644449
(E)-2-methyl-5-phenylpent-4-ene-1,3-diol
CID 89050087
(2S)-2-phenylselanylpent-4-en-1-ol
CID 23635680
(4R)-4-phenylselanylpentanoic acid
CID 101249625
2-methyl-3-(methylamino)-3-phenylpropan-1-ol
CID 64813233
3-phenylselanylbutanal
CID 11831146
(3S)-3-hydroperoxy-2-methyl-3-phenylpropan-1-ol
CID 89323490

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2,3-dimethyl-4,4-bis(phenylselanyl)butan-1-ol?
The IUPAC name of (2R,3S)-2,3-dimethyl-4,4-bis(phenylselanyl)butan-1-ol (CID 10597762) is (2R,3S)-2,3-dimethyl-4,4-bis(phenylselanyl)butan-1-ol.
What is the SMILES notation for (2R,3S)-2,3-dimethyl-4,4-bis(phenylselanyl)butan-1-ol?
The canonical SMILES for (2R,3S)-2,3-dimethyl-4,4-bis(phenylselanyl)butan-1-ol is C[C@H](C([Se]c1ccccc1)[Se]c1ccccc1)[C@@H](C)CO.
What is the InChIKey of (2R,3S)-2,3-dimethyl-4,4-bis(phenylselanyl)butan-1-ol?
The InChIKey is KOZHHLYBTCDAGL-GJZGRUSLSA-N. The full InChI is InChI=1S/C18H22OSe2/c1-14(13-19)15(2)18(20-16-9-5-3-6-10-16)21-17-11-7-4-8-12-17/h3-12,14-15,18-19H,13H2,1-2H3/t14-,15-/m0/s1.
What are the key properties of (2R,3S)-2,3-dimethyl-4,4-bis(phenylselanyl)butan-1-ol?
(2R,3S)-2,3-dimethyl-4,4-bis(phenylselanyl)butan-1-ol has a molecular weight of 412.29 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2,3-dimethyl-4,4-bis(phenylselanyl)butan-1-ol is sourced from PubChem (CID 10597762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).