(4S)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhexan-1-ol

C13H30O2Si — CID 56834637

IUPAC(4S)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhexan-1-ol
SMILESC[C@@H](CCCO)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H30O2Si/c1-12(8-7-10-14)9-11-15-16(5,6)13(2,3)4/h12,14H,7-11H2,1-6H3/t12-/m0/s1
InChIKeyFDSMBOFMYGLLAO-LBPRGKRZSA-N
MW246.47 g/mol
LogP3.81
Rot. Bonds7

About (4S)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhexan-1-ol

(4S)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhexan-1-ol (PubChem CID 56834637) has the molecular formula C13H30O2Si and a molecular weight of 246.47 g/mol. Its IUPAC name is (4S)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhexan-1-ol.

Molecular Properties

Compound Name(4S)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhexan-1-ol
PubChem CID56834637
Molecular FormulaC13H30O2Si
Molecular Weight246.47 g/mol
Exact Mass246.20
IUPAC Name(4S)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhexan-1-ol
SMILESC[C@@H](CCCO)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H30O2Si/c1-12(8-7-10-14)9-11-15-16(5,6)13(2,3)4/h12,14H,7-11H2,1-6H3/t12-/m0/s1
InChIKeyFDSMBOFMYGLLAO-LBPRGKRZSA-N
XLogP3.81
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.47
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Rac-[(1r,4r)-4-{[(tert-butyldimethylsilyl)oxy]methyl}cyclohexyl]methanol
CID 10753723
1-Hexanol, 6-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-
CID 11195649
(2S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentan-1-ol
CID 10444620
trans-2-(t-Butyldimethylsilyloxymethyl)cyclopentanol
CID 11053444
5-((t-Butyldimethylsilyl)oxy)-2,4-dimethylpentan-1-ol
CID 13596692
(2S,4S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylheptan-2-ol
CID 154722508
(2S)-6-{[tert-Butyl(dimethyl)silyl]oxy}-2-methylhexan-1-ol
CID 15838479
5-Methyl-1-trimethylsilylhexane-1,3-diol
CID 5247325
(2S,4R)-2,4-Dimethyl-5-(triisopropylsilyloxy)pentan-1-ol
CID 9543584
(2R,4S)-5-((tert-Butyldimethylsilyl)oxy)-2,4-dimethylpentan-1-ol
CID 10060505
(2R,4R)-5-((tert-butyldimethylsilyl)oxy)-2,4-dimethylpentan-1-ol
CID 10634197
4-[Tert-butyl(dimethyl)silyl]oxy-2-methylpentan-1-ol
CID 11107222

Frequently Asked Questions

What is the IUPAC name of (4S)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhexan-1-ol?
The IUPAC name of (4S)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhexan-1-ol (CID 56834637) is (4S)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhexan-1-ol.
What is the SMILES notation for (4S)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhexan-1-ol?
The canonical SMILES for (4S)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhexan-1-ol is C[C@@H](CCCO)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4S)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhexan-1-ol?
The InChIKey is FDSMBOFMYGLLAO-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H30O2Si/c1-12(8-7-10-14)9-11-15-16(5,6)13(2,3)4/h12,14H,7-11H2,1-6H3/t12-/m0/s1.
What are the key properties of (4S)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhexan-1-ol?
(4S)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhexan-1-ol has a molecular weight of 246.47 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhexan-1-ol is sourced from PubChem (CID 56834637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).