(3S)-1-[tert-butyl(dimethyl)silyl]oxydecan-3-ol

C16H36O2Si — CID 125490283

IUPAC(3S)-1-[tert-butyl(dimethyl)silyl]oxydecan-3-ol
SMILESCCCCCCC[C@H](O)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H36O2Si/c1-7-8-9-10-11-12-15(17)13-14-18-19(5,6)16(2,3)4/h15,17H,7-14H2,1-6H3/t15-/m0/s1
InChIKeyAPWVHWNKASTAKL-HNNXBMFYSA-N
MW288.55 g/mol
LogP5.12
Rot. Bonds10

About (3S)-1-[tert-butyl(dimethyl)silyl]oxydecan-3-ol

(3S)-1-[tert-butyl(dimethyl)silyl]oxydecan-3-ol (PubChem CID 125490283) has the molecular formula C16H36O2Si and a molecular weight of 288.55 g/mol. Its IUPAC name is (3S)-1-[tert-butyl(dimethyl)silyl]oxydecan-3-ol.

Molecular Properties

Compound Name(3S)-1-[tert-butyl(dimethyl)silyl]oxydecan-3-ol
PubChem CID125490283
Molecular FormulaC16H36O2Si
Molecular Weight288.55 g/mol
Exact Mass288.25
IUPAC Name(3S)-1-[tert-butyl(dimethyl)silyl]oxydecan-3-ol
SMILESCCCCCCC[C@H](O)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H36O2Si/c1-7-8-9-10-11-12-15(17)13-14-18-19(5,6)16(2,3)4/h15,17H,7-14H2,1-6H3/t15-/m0/s1
InChIKeyAPWVHWNKASTAKL-HNNXBMFYSA-N
XLogP5.12
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.55
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[tert-butyl(dimethyl)silyl]oxyhenicosan-2-ol
CID 168831338
(2R)-1-[tert-butyl(dimethyl)silyl]oxyundecan-2-ol
CID 11266641
(4S,13Z,16Z)-1-[tert-butyl(dimethyl)silyl]oxydocosa-13,16-dien-4-ol
CID 125481290
(3R)-7-[tert-butyl(dimethyl)silyl]oxyheptane-1,3-diol
CID 15605935
tert-butyl-hexacosoxy-dimethylsilane
CID 6430213
(3R)-1-[tert-butyl(diphenyl)silyl]oxytetradecan-3-ol
CID 10096198
octadecane-8,11-diol
CID 101412726
tert-butyl-dimethyl-(3,3,4,4-tetradeuteriononoxy)silane
CID 10753997
(2S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-2-ol
CID 163365178
5-[tert-butyl(dimethyl)silyl]oxypentyl 2-hexyldecanoate
CID 171051892
(2S,3R,4S,5R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-decoxy-3-[(3R)-3-hydroxytetradecoxy]oxane-2,5-diol
CID 68953269
[(6S)-16-[tert-butyl(dimethyl)silyl]oxyhexadecan-6-yl] acetate
CID 10669508

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[tert-butyl(dimethyl)silyl]oxydecan-3-ol?
The IUPAC name of (3S)-1-[tert-butyl(dimethyl)silyl]oxydecan-3-ol (CID 125490283) is (3S)-1-[tert-butyl(dimethyl)silyl]oxydecan-3-ol.
What is the SMILES notation for (3S)-1-[tert-butyl(dimethyl)silyl]oxydecan-3-ol?
The canonical SMILES for (3S)-1-[tert-butyl(dimethyl)silyl]oxydecan-3-ol is CCCCCCC[C@H](O)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3S)-1-[tert-butyl(dimethyl)silyl]oxydecan-3-ol?
The InChIKey is APWVHWNKASTAKL-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H36O2Si/c1-7-8-9-10-11-12-15(17)13-14-18-19(5,6)16(2,3)4/h15,17H,7-14H2,1-6H3/t15-/m0/s1.
What are the key properties of (3S)-1-[tert-butyl(dimethyl)silyl]oxydecan-3-ol?
(3S)-1-[tert-butyl(dimethyl)silyl]oxydecan-3-ol has a molecular weight of 288.55 g/mol, XLogP of 5.12, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[tert-butyl(dimethyl)silyl]oxydecan-3-ol is sourced from PubChem (CID 125490283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).