(2S)-1-[tert-butyl(diphenyl)silyl]oxyhex-5-en-2-ol

C22H30O2Si — CID 11279685

IUPAC(2S)-1-[tert-butyl(diphenyl)silyl]oxyhex-5-en-2-ol
SMILESC=CCC[C@H](O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C22H30O2Si/c1-5-6-13-19(23)18-24-25(22(2,3)4,20-14-9-7-10-15-20)21-16-11-8-12-17-21/h5,7-12,14-17,19,23H,1,6,13,18H2,2-4H3/t19-/m0/s1
InChIKeyMNVMTRRSOOOSHY-IBGZPJMESA-N
MW354.57 g/mol
LogP3.89
Rot. Bonds8

About (2S)-1-[tert-butyl(diphenyl)silyl]oxyhex-5-en-2-ol

(2S)-1-[tert-butyl(diphenyl)silyl]oxyhex-5-en-2-ol (PubChem CID 11279685) has the molecular formula C22H30O2Si and a molecular weight of 354.57 g/mol. Its IUPAC name is (2S)-1-[tert-butyl(diphenyl)silyl]oxyhex-5-en-2-ol.

Molecular Properties

Compound Name(2S)-1-[tert-butyl(diphenyl)silyl]oxyhex-5-en-2-ol
PubChem CID11279685
Molecular FormulaC22H30O2Si
Molecular Weight354.57 g/mol
Exact Mass354.20
IUPAC Name(2S)-1-[tert-butyl(diphenyl)silyl]oxyhex-5-en-2-ol
SMILESC=CCC[C@H](O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C22H30O2Si/c1-5-6-13-19(23)18-24-25(22(2,3)4,20-14-9-7-10-15-20)21-16-11-8-12-17-21/h5,7-12,14-17,19,23H,1,6,13,18H2,2-4H3/t19-/m0/s1
InChIKeyMNVMTRRSOOOSHY-IBGZPJMESA-N
XLogP3.89
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.57
LogP ≤ 53.89
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)-1-[tert-butyl(diphenyl)silyl]oxyhex-5-en-2-ol?
The IUPAC name of (2S)-1-[tert-butyl(diphenyl)silyl]oxyhex-5-en-2-ol (CID 11279685) is (2S)-1-[tert-butyl(diphenyl)silyl]oxyhex-5-en-2-ol.
What is the SMILES notation for (2S)-1-[tert-butyl(diphenyl)silyl]oxyhex-5-en-2-ol?
The canonical SMILES for (2S)-1-[tert-butyl(diphenyl)silyl]oxyhex-5-en-2-ol is C=CCC[C@H](O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (2S)-1-[tert-butyl(diphenyl)silyl]oxyhex-5-en-2-ol?
The InChIKey is MNVMTRRSOOOSHY-IBGZPJMESA-N. The full InChI is InChI=1S/C22H30O2Si/c1-5-6-13-19(23)18-24-25(22(2,3)4,20-14-9-7-10-15-20)21-16-11-8-12-17-21/h5,7-12,14-17,19,23H,1,6,13,18H2,2-4H3/t19-/m0/s1.
What are the key properties of (2S)-1-[tert-butyl(diphenyl)silyl]oxyhex-5-en-2-ol?
(2S)-1-[tert-butyl(diphenyl)silyl]oxyhex-5-en-2-ol has a molecular weight of 354.57 g/mol, XLogP of 3.89, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[tert-butyl(diphenyl)silyl]oxyhex-5-en-2-ol is sourced from PubChem (CID 11279685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).