(2S,5R)-5-[tert-butyl(dimethyl)silyl]oxyhexane-1,2-diol

C12H28O3Si — CID 44604185

IUPAC(2S,5R)-5-[tert-butyl(dimethyl)silyl]oxyhexane-1,2-diol
SMILESC[C@H](CC[C@H](O)CO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H28O3Si/c1-10(7-8-11(14)9-13)15-16(5,6)12(2,3)4/h10-11,13-14H,7-9H2,1-6H3/t10-,11+/m1/s1
InChIKeyBHONTVONWSWCMW-MNOVXSKESA-N
MW248.44 g/mol
LogP2.53
Rot. Bonds6

About (2S,5R)-5-[tert-butyl(dimethyl)silyl]oxyhexane-1,2-diol

(2S,5R)-5-[tert-butyl(dimethyl)silyl]oxyhexane-1,2-diol (PubChem CID 44604185) has the molecular formula C12H28O3Si and a molecular weight of 248.44 g/mol. Its IUPAC name is (2S,5R)-5-[tert-butyl(dimethyl)silyl]oxyhexane-1,2-diol.

Molecular Properties

Compound Name(2S,5R)-5-[tert-butyl(dimethyl)silyl]oxyhexane-1,2-diol
PubChem CID44604185
Molecular FormulaC12H28O3Si
Molecular Weight248.44 g/mol
Exact Mass248.18
IUPAC Name(2S,5R)-5-[tert-butyl(dimethyl)silyl]oxyhexane-1,2-diol
SMILESC[C@H](CC[C@H](O)CO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H28O3Si/c1-10(7-8-11(14)9-13)15-16(5,6)12(2,3)4/h10-11,13-14H,7-9H2,1-6H3/t10-,11+/m1/s1
InChIKeyBHONTVONWSWCMW-MNOVXSKESA-N
XLogP2.53
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.44
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-((Tert-butyldimethylsilyl)oxy)pentan-2-ol
CID 10998500
2-Hexanol, 6-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-
CID 10376666
(5R)-5-[tert-butyl(dimethyl)silyl]oxyhexan-1-ol
CID 11264771
cis-(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-ol
CID 14172787
(2S,3S)-2-[tert-butyl(dimethyl)silyl]oxypentan-3-ol
CID 58012768
Trimethylsilyl mannitol
CID 77134629
(5S)-5-[tert-butyl(dimethyl)silyl]oxyhexan-1-ol
CID 101479286
TMS-Sorbitol
CID 129724359
Cyclohexanol, 2-[(tert-butyldimethylsilyl)oxy]-, cis-
CID 554541
(1R,2R)-2-{[Tert-butyl(dimethyl)silyl]oxy}cyclohexanol
CID 11401982
(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxypentane-1,2-diol
CID 11521515
(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxypentane-1,2-diol
CID 11579557

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-[tert-butyl(dimethyl)silyl]oxyhexane-1,2-diol?
The IUPAC name of (2S,5R)-5-[tert-butyl(dimethyl)silyl]oxyhexane-1,2-diol (CID 44604185) is (2S,5R)-5-[tert-butyl(dimethyl)silyl]oxyhexane-1,2-diol.
What is the SMILES notation for (2S,5R)-5-[tert-butyl(dimethyl)silyl]oxyhexane-1,2-diol?
The canonical SMILES for (2S,5R)-5-[tert-butyl(dimethyl)silyl]oxyhexane-1,2-diol is C[C@H](CC[C@H](O)CO)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S,5R)-5-[tert-butyl(dimethyl)silyl]oxyhexane-1,2-diol?
The InChIKey is BHONTVONWSWCMW-MNOVXSKESA-N. The full InChI is InChI=1S/C12H28O3Si/c1-10(7-8-11(14)9-13)15-16(5,6)12(2,3)4/h10-11,13-14H,7-9H2,1-6H3/t10-,11+/m1/s1.
What are the key properties of (2S,5R)-5-[tert-butyl(dimethyl)silyl]oxyhexane-1,2-diol?
(2S,5R)-5-[tert-butyl(dimethyl)silyl]oxyhexane-1,2-diol has a molecular weight of 248.44 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-[tert-butyl(dimethyl)silyl]oxyhexane-1,2-diol is sourced from PubChem (CID 44604185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).