(2S)-1-[tert-butyl(dimethyl)silyl]oxy-5-methylhexane-2,5-diol

C13H30O3Si — CID 71386840

IUPAC(2S)-1-[tert-butyl(dimethyl)silyl]oxy-5-methylhexane-2,5-diol
SMILESCC(C)(O)CC[C@H](O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H30O3Si/c1-12(2,3)17(6,7)16-10-11(14)8-9-13(4,5)15/h11,14-15H,8-10H2,1-7H3/t11-/m0/s1
InChIKeyNFEOFUMCNRRZPM-NSHDSACASA-N
MW262.47 g/mol
LogP2.92
Rot. Bonds6

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

(2S)-1-[tert-butyl(dimethyl)silyl]oxy-5-methylhexane-2,5-diol (PubChem CID 71386840) has the molecular formula C13H30O3Si and a molecular weight of 262.47 g/mol. Its IUPAC name is (2S)-1-[tert-butyl(dimethyl)silyl]oxy-5-methylhexane-2,5-diol.

Molecular Properties

Compound Name(2S)-1-[tert-butyl(dimethyl)silyl]oxy-5-methylhexane-2,5-diol
PubChem CID71386840
Molecular FormulaC13H30O3Si
Molecular Weight262.47 g/mol
Exact Mass262.20
IUPAC Name(2S)-1-[tert-butyl(dimethyl)silyl]oxy-5-methylhexane-2,5-diol
SMILESCC(C)(O)CC[C@H](O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H30O3Si/c1-12(2,3)17(6,7)16-10-11(14)8-9-13(4,5)15/h11,14-15H,8-10H2,1-7H3/t11-/m0/s1
InChIKeyNFEOFUMCNRRZPM-NSHDSACASA-N
XLogP2.92
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.47
LogP ≤ 52.92
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

1-[tert-butyl(dimethyl)silyl]oxypentan-2-ol
CID 10608878
(2S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-2-ol
CID 163365178
(2S)-1-[tert-butyl(dimethyl)silyl]oxybutan-2-ol
CID 86606837
(2R)-1-[tert-butyl(dimethyl)silyl]oxyundecan-2-ol
CID 11266641
1-[tert-butyl(dimethyl)silyl]oxyhenicosan-2-ol
CID 168831338
1-[tert-butyl(dimethyl)silyl]oxypropan-2-ol
CID 13175134
(2R,3R,4R,5R)-1,6-bis[[tert-butyl(dimethyl)silyl]oxy]hexane-2,3,4,5-tetrol
CID 11486689
(3S)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpentane-2,3-diol
CID 71545770
1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-ol
CID 14336173
(2S)-1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-ol
CID 11148647
1-[tert-butyl(dimethyl)silyl]oxy-4-(4-methylphenyl)butan-2-ol
CID 22628511
(E)-1-[tert-butyl(dimethyl)silyl]oxyundec-5-en-2-ol
CID 100961334

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[tert-butyl(dimethyl)silyl]oxy-5-methylhexane-2,5-diol?
The IUPAC name of (2S)-1-[tert-butyl(dimethyl)silyl]oxy-5-methylhexane-2,5-diol (CID 71386840) is (2S)-1-[tert-butyl(dimethyl)silyl]oxy-5-methylhexane-2,5-diol.
What is the SMILES notation for (2S)-1-[tert-butyl(dimethyl)silyl]oxy-5-methylhexane-2,5-diol?
The canonical SMILES for (2S)-1-[tert-butyl(dimethyl)silyl]oxy-5-methylhexane-2,5-diol is CC(C)(O)CC[C@H](O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S)-1-[tert-butyl(dimethyl)silyl]oxy-5-methylhexane-2,5-diol?
The InChIKey is NFEOFUMCNRRZPM-NSHDSACASA-N. The full InChI is InChI=1S/C13H30O3Si/c1-12(2,3)17(6,7)16-10-11(14)8-9-13(4,5)15/h11,14-15H,8-10H2,1-7H3/t11-/m0/s1.
What are the key properties of (2S)-1-[tert-butyl(dimethyl)silyl]oxy-5-methylhexane-2,5-diol?
(2S)-1-[tert-butyl(dimethyl)silyl]oxy-5-methylhexane-2,5-diol has a molecular weight of 262.47 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[tert-butyl(dimethyl)silyl]oxy-5-methylhexane-2,5-diol is sourced from PubChem (CID 71386840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).