(3R,4S)-4-[tert-butyl(diphenyl)silyl]-2-methyloctan-3-ol

C25H38OSi — CID 15503823

IUPAC(3R,4S)-4-[tert-butyl(diphenyl)silyl]-2-methyloctan-3-ol
SMILESCCCC[C@@H]([C@H](O)C(C)C)[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H38OSi/c1-7-8-19-23(24(26)20(2)3)27(25(4,5)6,21-15-11-9-12-16-21)22-17-13-10-14-18-22/h9-18,20,23-24,26H,7-8,19H2,1-6H3/t23-,24+/m0/s1
InChIKeyKEFKMEVMXOZCGZ-BJKOFHAPSA-N
MW382.66 g/mol
LogP5.63
Rot. Bonds8

About (3R,4S)-4-[tert-butyl(diphenyl)silyl]-2-methyloctan-3-ol

(3R,4S)-4-[tert-butyl(diphenyl)silyl]-2-methyloctan-3-ol (PubChem CID 15503823) has the molecular formula C25H38OSi and a molecular weight of 382.66 g/mol. Its IUPAC name is (3R,4S)-4-[tert-butyl(diphenyl)silyl]-2-methyloctan-3-ol.

Molecular Properties

Compound Name(3R,4S)-4-[tert-butyl(diphenyl)silyl]-2-methyloctan-3-ol
PubChem CID15503823
Molecular FormulaC25H38OSi
Molecular Weight382.66 g/mol
Exact Mass382.27
IUPAC Name(3R,4S)-4-[tert-butyl(diphenyl)silyl]-2-methyloctan-3-ol
SMILESCCCC[C@@H]([C@H](O)C(C)C)[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H38OSi/c1-7-8-19-23(24(26)20(2)3)27(25(4,5)6,21-15-11-9-12-16-21)22-17-13-10-14-18-22/h9-18,20,23-24,26H,7-8,19H2,1-6H3/t23-,24+/m0/s1
InChIKeyKEFKMEVMXOZCGZ-BJKOFHAPSA-N
XLogP5.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.66
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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,4S)-4-[tert-butyl(diphenyl)silyl]-2-methyloctan-3-ol?
The IUPAC name of (3R,4S)-4-[tert-butyl(diphenyl)silyl]-2-methyloctan-3-ol (CID 15503823) is (3R,4S)-4-[tert-butyl(diphenyl)silyl]-2-methyloctan-3-ol.
What is the SMILES notation for (3R,4S)-4-[tert-butyl(diphenyl)silyl]-2-methyloctan-3-ol?
The canonical SMILES for (3R,4S)-4-[tert-butyl(diphenyl)silyl]-2-methyloctan-3-ol is CCCC[C@@H]([C@H](O)C(C)C)[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (3R,4S)-4-[tert-butyl(diphenyl)silyl]-2-methyloctan-3-ol?
The InChIKey is KEFKMEVMXOZCGZ-BJKOFHAPSA-N. The full InChI is InChI=1S/C25H38OSi/c1-7-8-19-23(24(26)20(2)3)27(25(4,5)6,21-15-11-9-12-16-21)22-17-13-10-14-18-22/h9-18,20,23-24,26H,7-8,19H2,1-6H3/t23-,24+/m0/s1.
What are the key properties of (3R,4S)-4-[tert-butyl(diphenyl)silyl]-2-methyloctan-3-ol?
(3R,4S)-4-[tert-butyl(diphenyl)silyl]-2-methyloctan-3-ol has a molecular weight of 382.66 g/mol, XLogP of 5.63, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-[tert-butyl(diphenyl)silyl]-2-methyloctan-3-ol is sourced from PubChem (CID 15503823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).