(3S)-3-[tert-butyl(diphenyl)silyl]oxyhex-5-en-1-ol

C22H30O2Si — CID 56926952

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

About (3S)-3-[tert-butyl(diphenyl)silyl]oxyhex-5-en-1-ol

(3S)-3-[tert-butyl(diphenyl)silyl]oxyhex-5-en-1-ol (PubChem CID 56926952) has the molecular formula C22H30O2Si and a molecular weight of 354.57 g/mol. Its IUPAC name is (3S)-3-[tert-butyl(diphenyl)silyl]oxyhex-5-en-1-ol.

Molecular Properties

Compound Name(3S)-3-[tert-butyl(diphenyl)silyl]oxyhex-5-en-1-ol
PubChem CID56926952
Molecular FormulaC22H30O2Si
Molecular Weight354.57 g/mol
Exact Mass354.20
IUPAC Name(3S)-3-[tert-butyl(diphenyl)silyl]oxyhex-5-en-1-ol
SMILESC=CC[C@@H](CCO)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C22H30O2Si/c1-5-12-19(17-18-23)24-25(22(2,3)4,20-13-8-6-9-14-20)21-15-10-7-11-16-21/h5-11,13-16,19,23H,1,12,17-18H2,2-4H3/t19-/m0/s1
InChIKeyNENDYFCQZSDPBU-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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Related Compounds

3-((tert-Butyldiphenylsilyl)oxy)-2,2-dimethylpropan-1-ol
CID 11313883
Tert-butyl-cyclohexyloxy-diphenylsilane
CID 12619131
Tert-butyl-cyclopentyloxy-diphenylsilane
CID 85767200
Dibutoxy(diphenyl)silane
CID 13637536
Diphenyl(4-hydroxybutyl)methylsilane
CID 4583561
6-((tert-Butyldiphenylsilyl)oxy)hexan-1-ol
CID 11013734
tert-Butyl(hexyloxy)diphenylsilane
CID 11338517
(R)-4-(tert-Butyldiphenylsilyloxy)-3-methyl-1-butanol
CID 23727941
1-[Tert-butyl(diphenyl)silyl]oxy-4,4-difluorohex-5-en-3-ol
CID 102342231
2-[[Tert-butyl(diphenyl)silyl]oxymethyl]-2-fluoropropane-1,3-diol
CID 138971112
t-Butyl-(3-methylbut-3-enyloxy)diphenylsilane
CID 605219
(Z)-4-[tert-butyl(diphenyl)silyl]oxybut-2-en-1-ol
CID 5461382

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[tert-butyl(diphenyl)silyl]oxyhex-5-en-1-ol?
The IUPAC name of (3S)-3-[tert-butyl(diphenyl)silyl]oxyhex-5-en-1-ol (CID 56926952) is (3S)-3-[tert-butyl(diphenyl)silyl]oxyhex-5-en-1-ol.
What is the SMILES notation for (3S)-3-[tert-butyl(diphenyl)silyl]oxyhex-5-en-1-ol?
The canonical SMILES for (3S)-3-[tert-butyl(diphenyl)silyl]oxyhex-5-en-1-ol is C=CC[C@@H](CCO)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (3S)-3-[tert-butyl(diphenyl)silyl]oxyhex-5-en-1-ol?
The InChIKey is NENDYFCQZSDPBU-IBGZPJMESA-N. The full InChI is InChI=1S/C22H30O2Si/c1-5-12-19(17-18-23)24-25(22(2,3)4,20-13-8-6-9-14-20)21-15-10-7-11-16-21/h5-11,13-16,19,23H,1,12,17-18H2,2-4H3/t19-/m0/s1.
What are the key properties of (3S)-3-[tert-butyl(diphenyl)silyl]oxyhex-5-en-1-ol?
(3S)-3-[tert-butyl(diphenyl)silyl]oxyhex-5-en-1-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 (3S)-3-[tert-butyl(diphenyl)silyl]oxyhex-5-en-1-ol is sourced from PubChem (CID 56926952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).