(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-phenylpentan-3-ol

C17H30O2Si — CID 57308546

IUPAC(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-phenylpentan-3-ol
SMILESC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)CCc1ccccc1
InChIInChI=1S/C17H30O2Si/c1-14(19-20(5,6)17(2,3)4)16(18)13-12-15-10-8-7-9-11-15/h7-11,14,16,18H,12-13H2,1-6H3/t14-,16-/m0/s1
InChIKeyFMOQZWYXCFHNKU-HOCLYGCPSA-N
MW294.51 g/mol
LogP4.39
Rot. Bonds6

About (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-phenylpentan-3-ol

(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-phenylpentan-3-ol (PubChem CID 57308546) has the molecular formula C17H30O2Si and a molecular weight of 294.51 g/mol. Its IUPAC name is (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-phenylpentan-3-ol.

Molecular Properties

Compound Name(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-phenylpentan-3-ol
PubChem CID57308546
Molecular FormulaC17H30O2Si
Molecular Weight294.51 g/mol
Exact Mass294.20
IUPAC Name(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-phenylpentan-3-ol
SMILESC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)CCc1ccccc1
InChIInChI=1S/C17H30O2Si/c1-14(19-20(5,6)17(2,3)4)16(18)13-12-15-10-8-7-9-11-15/h7-11,14,16,18H,12-13H2,1-6H3/t14-,16-/m0/s1
InChIKeyFMOQZWYXCFHNKU-HOCLYGCPSA-N
XLogP4.39
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.51
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpentan-2-ol
CID 67144308
(2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutan-1-ol
CID 139246891
tert-butyl-dimethyl-[(2S)-3-methylidene-5-phenylpentan-2-yl]oxysilane
CID 101349147
(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-phenylpentanal
CID 53259150
tert-butyl-dimethyl-[(2R)-1-phenylpropan-2-yl]oxysilane
CID 59920354
(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-N-methyl-6-phenylhexan-2-amine
CID 25179193
tert-butyl-dimethyl-(1-phenylhex-5-yn-3-yloxy)silane
CID 139249096
(2S)-2-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutanoyl]amino]-3-methylbutanoic acid
CID 70085517
(Z,2R,3R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxydec-5-en-3-ol
CID 53388286
(Z,2S,3S,9R)-9-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxydec-5-en-3-ol
CID 53387980
(3R,4R)-1,6-diphenylhexane-3,4-diol;dihydrochloride
CID 67941860
[3-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-5-phenylpentyl] acetate
CID 11163883

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-phenylpentan-3-ol?
The IUPAC name of (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-phenylpentan-3-ol (CID 57308546) is (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-phenylpentan-3-ol.
What is the SMILES notation for (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-phenylpentan-3-ol?
The canonical SMILES for (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-phenylpentan-3-ol is C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)CCc1ccccc1.
What is the InChIKey of (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-phenylpentan-3-ol?
The InChIKey is FMOQZWYXCFHNKU-HOCLYGCPSA-N. The full InChI is InChI=1S/C17H30O2Si/c1-14(19-20(5,6)17(2,3)4)16(18)13-12-15-10-8-7-9-11-15/h7-11,14,16,18H,12-13H2,1-6H3/t14-,16-/m0/s1.
What are the key properties of (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-phenylpentan-3-ol?
(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-phenylpentan-3-ol has a molecular weight of 294.51 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-phenylpentan-3-ol is sourced from PubChem (CID 57308546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).