(2S,3S,4S)-1-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylhex-5-en-3-ol

C24H34O2Si — CID 11090254

IUPAC(2S,3S,4S)-1-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylhex-5-en-3-ol
SMILESC=C[C@H](C)[C@H](O)[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C24H34O2Si/c1-7-19(2)23(25)20(3)18-26-27(24(4,5)6,21-14-10-8-11-15-21)22-16-12-9-13-17-22/h7-17,19-20,23,25H,1,18H2,2-6H3/t19-,20-,23-/m0/s1
InChIKeyVOTHQAIBUDKZGM-JTAQYXEDSA-N
MW382.62 g/mol
LogP4.38
Rot. Bonds8

About (2S,3S,4S)-1-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylhex-5-en-3-ol

(2S,3S,4S)-1-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylhex-5-en-3-ol (PubChem CID 11090254) has the molecular formula C24H34O2Si and a molecular weight of 382.62 g/mol. Its IUPAC name is (2S,3S,4S)-1-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylhex-5-en-3-ol.

Molecular Properties

Compound Name(2S,3S,4S)-1-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylhex-5-en-3-ol
PubChem CID11090254
Molecular FormulaC24H34O2Si
Molecular Weight382.62 g/mol
Exact Mass382.23
IUPAC Name(2S,3S,4S)-1-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylhex-5-en-3-ol
SMILESC=C[C@H](C)[C@H](O)[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C24H34O2Si/c1-7-19(2)23(25)20(3)18-26-27(24(4,5)6,21-14-10-8-11-15-21)22-16-12-9-13-17-22/h7-17,19-20,23,25H,1,18H2,2-6H3/t19-,20-,23-/m0/s1
InChIKeyVOTHQAIBUDKZGM-JTAQYXEDSA-N
XLogP4.38
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.62
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S)-1-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylhex-5-en-3-ol?
The IUPAC name of (2S,3S,4S)-1-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylhex-5-en-3-ol (CID 11090254) is (2S,3S,4S)-1-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylhex-5-en-3-ol.
What is the SMILES notation for (2S,3S,4S)-1-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylhex-5-en-3-ol?
The canonical SMILES for (2S,3S,4S)-1-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylhex-5-en-3-ol is C=C[C@H](C)[C@H](O)[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (2S,3S,4S)-1-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylhex-5-en-3-ol?
The InChIKey is VOTHQAIBUDKZGM-JTAQYXEDSA-N. The full InChI is InChI=1S/C24H34O2Si/c1-7-19(2)23(25)20(3)18-26-27(24(4,5)6,21-14-10-8-11-15-21)22-16-12-9-13-17-22/h7-17,19-20,23,25H,1,18H2,2-6H3/t19-,20-,23-/m0/s1.
What are the key properties of (2S,3S,4S)-1-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylhex-5-en-3-ol?
(2S,3S,4S)-1-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylhex-5-en-3-ol has a molecular weight of 382.62 g/mol, XLogP of 4.38, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S)-1-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylhex-5-en-3-ol is sourced from PubChem (CID 11090254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).