(3R)-2-methyl-4-[methyl(diphenyl)silyl]-3-[(R)-(4-methylphenyl)sulfinyl]butan-2-ol

C25H30O2SSi — CID 10502363

IUPAC(3R)-2-methyl-4-[methyl(diphenyl)silyl]-3-[(R)-(4-methylphenyl)sulfinyl]butan-2-ol
SMILESCc1ccc([S@](=O)[C@@H](C[Si](C)(c2ccccc2)c2ccccc2)C(C)(C)O)cc1
InChIInChI=1S/C25H30O2SSi/c1-20-15-17-21(18-16-20)28(27)24(25(2,3)26)19-29(4,22-11-7-5-8-12-22)23-13-9-6-10-14-23/h5-18,24,26H,19H2,1-4H3/t24-,28-/m0/s1
InChIKeySZHUARDYDZPKBJ-CUBQBAPOSA-N
MW422.67 g/mol
LogP4.14
Rot. Bonds7

About (3R)-2-methyl-4-[methyl(diphenyl)silyl]-3-[(R)-(4-methylphenyl)sulfinyl]butan-2-ol

(3R)-2-methyl-4-[methyl(diphenyl)silyl]-3-[(R)-(4-methylphenyl)sulfinyl]butan-2-ol (PubChem CID 10502363) has the molecular formula C25H30O2SSi and a molecular weight of 422.67 g/mol. Its IUPAC name is (3R)-2-methyl-4-[methyl(diphenyl)silyl]-3-[(R)-(4-methylphenyl)sulfinyl]butan-2-ol.

Molecular Properties

Compound Name(3R)-2-methyl-4-[methyl(diphenyl)silyl]-3-[(R)-(4-methylphenyl)sulfinyl]butan-2-ol
PubChem CID10502363
Molecular FormulaC25H30O2SSi
Molecular Weight422.67 g/mol
Exact Mass422.17
IUPAC Name(3R)-2-methyl-4-[methyl(diphenyl)silyl]-3-[(R)-(4-methylphenyl)sulfinyl]butan-2-ol
SMILESCc1ccc([S@](=O)[C@@H](C[Si](C)(c2ccccc2)c2ccccc2)C(C)(C)O)cc1
InChIInChI=1S/C25H30O2SSi/c1-20-15-17-21(18-16-20)28(27)24(25(2,3)26)19-29(4,22-11-7-5-8-12-22)23-13-9-6-10-14-23/h5-18,24,26H,19H2,1-4H3/t24-,28-/m0/s1
InChIKeySZHUARDYDZPKBJ-CUBQBAPOSA-N
XLogP4.14
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.67
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-2-methyl-4-[methyl(diphenyl)silyl]-3-[(R)-(4-methylphenyl)sulfinyl]butan-2-ol?
The IUPAC name of (3R)-2-methyl-4-[methyl(diphenyl)silyl]-3-[(R)-(4-methylphenyl)sulfinyl]butan-2-ol (CID 10502363) is (3R)-2-methyl-4-[methyl(diphenyl)silyl]-3-[(R)-(4-methylphenyl)sulfinyl]butan-2-ol.
What is the SMILES notation for (3R)-2-methyl-4-[methyl(diphenyl)silyl]-3-[(R)-(4-methylphenyl)sulfinyl]butan-2-ol?
The canonical SMILES for (3R)-2-methyl-4-[methyl(diphenyl)silyl]-3-[(R)-(4-methylphenyl)sulfinyl]butan-2-ol is Cc1ccc([S@](=O)[C@@H](C[Si](C)(c2ccccc2)c2ccccc2)C(C)(C)O)cc1.
What is the InChIKey of (3R)-2-methyl-4-[methyl(diphenyl)silyl]-3-[(R)-(4-methylphenyl)sulfinyl]butan-2-ol?
The InChIKey is SZHUARDYDZPKBJ-CUBQBAPOSA-N. The full InChI is InChI=1S/C25H30O2SSi/c1-20-15-17-21(18-16-20)28(27)24(25(2,3)26)19-29(4,22-11-7-5-8-12-22)23-13-9-6-10-14-23/h5-18,24,26H,19H2,1-4H3/t24-,28-/m0/s1.
What are the key properties of (3R)-2-methyl-4-[methyl(diphenyl)silyl]-3-[(R)-(4-methylphenyl)sulfinyl]butan-2-ol?
(3R)-2-methyl-4-[methyl(diphenyl)silyl]-3-[(R)-(4-methylphenyl)sulfinyl]butan-2-ol has a molecular weight of 422.67 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-methyl-4-[methyl(diphenyl)silyl]-3-[(R)-(4-methylphenyl)sulfinyl]butan-2-ol is sourced from PubChem (CID 10502363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).