(3S)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpentane-2,3-diol

C12H28O3Si — CID 71545770

IUPAC(3S)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpentane-2,3-diol
SMILESCC(C)(O)[C@@H](O)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H28O3Si/c1-11(2,3)16(6,7)15-9-8-10(13)12(4,5)14/h10,13-14H,8-9H2,1-7H3/t10-/m0/s1
InChIKeyHHRKZJXCSSJXHM-JTQLQIEISA-N
MW248.44 g/mol
LogP2.53
Rot. Bonds5

About (3S)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpentane-2,3-diol

(3S)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpentane-2,3-diol (PubChem CID 71545770) has the molecular formula C12H28O3Si and a molecular weight of 248.44 g/mol. Its IUPAC name is (3S)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpentane-2,3-diol.

Molecular Properties

Compound Name(3S)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpentane-2,3-diol
PubChem CID71545770
Molecular FormulaC12H28O3Si
Molecular Weight248.44 g/mol
Exact Mass248.18
IUPAC Name(3S)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpentane-2,3-diol
SMILESCC(C)(O)[C@@H](O)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H28O3Si/c1-11(2,3)16(6,7)15-9-8-10(13)12(4,5)14/h10,13-14H,8-9H2,1-7H3/t10-/m0/s1
InChIKeyHHRKZJXCSSJXHM-JTQLQIEISA-N
XLogP2.53
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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

methyl (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,2-dimethylpentanoate
CID 124629533
(2S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-2-ol
CID 163365178
ethyl (2S,3R)-2-bromo-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methylpentanoate
CID 11210874
[(3S)-3-bromobutoxy]-tert-butyl-dimethylsilane
CID 125499133
(2S)-1-[tert-butyl(dimethyl)silyl]oxy-5-methylhexane-2,5-diol
CID 71386840
(3R,4R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhexane-1,2,4-triol
CID 10755088
(3S)-5-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-ol
CID 15363416
(3R,4S)-6-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydroxyhexan-2-one
CID 16756247
1-[tert-butyl(dimethyl)silyl]oxypropan-2-ol
CID 13175134
[(3R)-4-bromo-3-methylbutoxy]-tert-butyl-dimethylsilane
CID 10902026
1-[tert-butyl(dimethyl)silyl]oxypentan-2-ol
CID 10608878
(3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-en-3-ol
CID 11425088

Frequently Asked Questions

What is the IUPAC name of (3S)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpentane-2,3-diol?
The IUPAC name of (3S)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpentane-2,3-diol (CID 71545770) is (3S)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpentane-2,3-diol.
What is the SMILES notation for (3S)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpentane-2,3-diol?
The canonical SMILES for (3S)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpentane-2,3-diol is CC(C)(O)[C@@H](O)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3S)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpentane-2,3-diol?
The InChIKey is HHRKZJXCSSJXHM-JTQLQIEISA-N. The full InChI is InChI=1S/C12H28O3Si/c1-11(2,3)16(6,7)15-9-8-10(13)12(4,5)14/h10,13-14H,8-9H2,1-7H3/t10-/m0/s1.
What are the key properties of (3S)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpentane-2,3-diol?
(3S)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpentane-2,3-diol has a molecular weight of 248.44 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpentane-2,3-diol is sourced from PubChem (CID 71545770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).