(2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutan-1-ol

C16H28O2Si — CID 139246891

IUPAC(2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutan-1-ol
SMILESCC(C)(C)[Si](C)(C)O[C@@H](CO)CCc1ccccc1
InChIInChI=1S/C16H28O2Si/c1-16(2,3)19(4,5)18-15(13-17)12-11-14-9-7-6-8-10-14/h6-10,15,17H,11-13H2,1-5H3/t15-/m1/s1
InChIKeyZFYUAKXMGKISHI-OAHLLOKOSA-N
MW280.48 g/mol
LogP4.00
Rot. Bonds6

About (2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutan-1-ol

(2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutan-1-ol (PubChem CID 139246891) has the molecular formula C16H28O2Si and a molecular weight of 280.48 g/mol. Its IUPAC name is (2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutan-1-ol.

Molecular Properties

Compound Name(2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutan-1-ol
PubChem CID139246891
Molecular FormulaC16H28O2Si
Molecular Weight280.48 g/mol
Exact Mass280.19
IUPAC Name(2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutan-1-ol
SMILESCC(C)(C)[Si](C)(C)O[C@@H](CO)CCc1ccccc1
InChIInChI=1S/C16H28O2Si/c1-16(2,3)19(4,5)18-15(13-17)12-11-14-9-7-6-8-10-14/h6-10,15,17H,11-13H2,1-5H3/t15-/m1/s1
InChIKeyZFYUAKXMGKISHI-OAHLLOKOSA-N
XLogP4.00
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 54.00
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

tert-butyl-dimethyl-(1-phenylhex-5-yn-3-yloxy)silane
CID 139249096
(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-N-methyl-6-phenylhexan-2-amine
CID 25179193
(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-phenylpentan-3-ol
CID 57308546
(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpentan-2-ol
CID 67144308
tert-butyl-dimethyl-[1-(oxetan-2-yl)-4-phenylbutan-2-yl]oxysilane
CID 101441536
tert-butyl-dimethyl-[(Z)-1-phenyloct-5-en-3-yl]oxysilane;carbon dioxide
CID 158278224
(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-phenylpentanal
CID 53259150
2-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropan-1-amine
CID 14872266
tert-butyl-dimethyl-[(2S)-3-methylidene-5-phenylpentan-2-yl]oxysilane
CID 101349147
tert-butyl-dimethyl-[(2R)-1-phenylpropan-2-yl]oxysilane
CID 59920354
(2S)-2-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutanoyl]amino]-3-methylbutanoic acid
CID 70085517
[3-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-5-phenylpentyl] acetate
CID 11163883

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutan-1-ol?
The IUPAC name of (2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutan-1-ol (CID 139246891) is (2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutan-1-ol.
What is the SMILES notation for (2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutan-1-ol?
The canonical SMILES for (2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutan-1-ol is CC(C)(C)[Si](C)(C)O[C@@H](CO)CCc1ccccc1.
What is the InChIKey of (2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutan-1-ol?
The InChIKey is ZFYUAKXMGKISHI-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H28O2Si/c1-16(2,3)19(4,5)18-15(13-17)12-11-14-9-7-6-8-10-14/h6-10,15,17H,11-13H2,1-5H3/t15-/m1/s1.
What are the key properties of (2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutan-1-ol?
(2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutan-1-ol has a molecular weight of 280.48 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutan-1-ol is sourced from PubChem (CID 139246891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).