(3S,4S)-2-methyl-3-(trimethylsilylmethyl)pentane-2,4-diol

C10H24O2Si — CID 10954691

IUPAC(3S,4S)-2-methyl-3-(trimethylsilylmethyl)pentane-2,4-diol
SMILESC[C@H](O)[C@H](C[Si](C)(C)C)C(C)(C)O
InChIInChI=1S/C10H24O2Si/c1-8(11)9(10(2,3)12)7-13(4,5)6/h8-9,11-12H,7H2,1-6H3/t8-,9-/m0/s1
InChIKeyGLVODADIFDYJBX-IUCAKERBSA-N
MW204.39 g/mol
LogP2.09
Rot. Bonds4

About (3S,4S)-2-methyl-3-(trimethylsilylmethyl)pentane-2,4-diol

(3S,4S)-2-methyl-3-(trimethylsilylmethyl)pentane-2,4-diol (PubChem CID 10954691) has the molecular formula C10H24O2Si and a molecular weight of 204.39 g/mol. Its IUPAC name is (3S,4S)-2-methyl-3-(trimethylsilylmethyl)pentane-2,4-diol.

Molecular Properties

Compound Name(3S,4S)-2-methyl-3-(trimethylsilylmethyl)pentane-2,4-diol
PubChem CID10954691
Molecular FormulaC10H24O2Si
Molecular Weight204.39 g/mol
Exact Mass204.15
IUPAC Name(3S,4S)-2-methyl-3-(trimethylsilylmethyl)pentane-2,4-diol
SMILESC[C@H](O)[C@H](C[Si](C)(C)C)C(C)(C)O
InChIInChI=1S/C10H24O2Si/c1-8(11)9(10(2,3)12)7-13(4,5)6/h8-9,11-12H,7H2,1-6H3/t8-,9-/m0/s1
InChIKeyGLVODADIFDYJBX-IUCAKERBSA-N
XLogP2.09
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.39
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[Tert-butyl(dimethyl)silyl]oxy-4-methylpentan-2-ol
CID 15124201
(2R,3R)-3-[(tert-Butyldimethylsilyl)oxy]-2-methylpentan-1-ol
CID 14590718
(2S,3R)-2-ethyl-3-triethylsilyloxypentan-1-ol
CID 102278787
(2R,3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentane-1,3-diol
CID 134905236
(3S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-3-ol
CID 155937051
1-Butanol, 2-ethyl-3-[(triethylsilyl)oxy]-, [r-(R*,S*)]-
CID 568625
3-Hydroxymethyl-2-trimethylsilyloxypentane
CID 575923
Ctk2I5829
CID 10922415
(2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylpentan-3-ol
CID 11379278
(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentan-1-ol
CID 13548481
(2S,3R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentane-1,3-diol
CID 10967320
3-Ethyl-2-methylpentane-2,4-diol
CID 22987699

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-2-methyl-3-(trimethylsilylmethyl)pentane-2,4-diol?
The IUPAC name of (3S,4S)-2-methyl-3-(trimethylsilylmethyl)pentane-2,4-diol (CID 10954691) is (3S,4S)-2-methyl-3-(trimethylsilylmethyl)pentane-2,4-diol.
What is the SMILES notation for (3S,4S)-2-methyl-3-(trimethylsilylmethyl)pentane-2,4-diol?
The canonical SMILES for (3S,4S)-2-methyl-3-(trimethylsilylmethyl)pentane-2,4-diol is C[C@H](O)[C@H](C[Si](C)(C)C)C(C)(C)O.
What is the InChIKey of (3S,4S)-2-methyl-3-(trimethylsilylmethyl)pentane-2,4-diol?
The InChIKey is GLVODADIFDYJBX-IUCAKERBSA-N. The full InChI is InChI=1S/C10H24O2Si/c1-8(11)9(10(2,3)12)7-13(4,5)6/h8-9,11-12H,7H2,1-6H3/t8-,9-/m0/s1.
What are the key properties of (3S,4S)-2-methyl-3-(trimethylsilylmethyl)pentane-2,4-diol?
(3S,4S)-2-methyl-3-(trimethylsilylmethyl)pentane-2,4-diol has a molecular weight of 204.39 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-2-methyl-3-(trimethylsilylmethyl)pentane-2,4-diol is sourced from PubChem (CID 10954691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).