5-methyl-1-trimethylsilylhexane-1,3-diol

C10H24O2Si — CID 5247325

IUPAC5-methyl-1-trimethylsilylhexane-1,3-diol
SMILESCC(C)CC(O)CC(O)[Si](C)(C)C
InChIInChI=1S/C10H24O2Si/c1-8(2)6-9(11)7-10(12)13(3,4)5/h8-12H,6-7H2,1-5H3
InChIKeyQLFSPRVSYPNEKH-UHFFFAOYSA-N
MW204.39 g/mol
LogP2.02
Rot. Bonds5

About 5-methyl-1-trimethylsilylhexane-1,3-diol

5-methyl-1-trimethylsilylhexane-1,3-diol (PubChem CID 5247325) has the molecular formula C10H24O2Si and a molecular weight of 204.39 g/mol. Its IUPAC name is 5-methyl-1-trimethylsilylhexane-1,3-diol.

Molecular Properties

Compound Name5-methyl-1-trimethylsilylhexane-1,3-diol
PubChem CID5247325
Molecular FormulaC10H24O2Si
Molecular Weight204.39 g/mol
Exact Mass204.15
IUPAC Name5-methyl-1-trimethylsilylhexane-1,3-diol
SMILESCC(C)CC(O)CC(O)[Si](C)(C)C
InChIInChI=1S/C10H24O2Si/c1-8(2)6-9(11)7-10(12)13(3,4)5/h8-12H,6-7H2,1-5H3
InChIKeyQLFSPRVSYPNEKH-UHFFFAOYSA-N
XLogP2.02
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.39
LogP ≤ 52.02
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

trans-2-(t-Butyldimethylsilyloxymethyl)cyclopentanol
CID 11053444
(2S,4S)-4-[ditert-butyl(fluoro)silyl]oxy-5-methylhexan-2-ol
CID 10870068
(2R,4S)-4-[ditert-butyl(fluoro)silyl]oxy-5-methylhexan-2-ol
CID 10968334
(2S)-6-{[tert-Butyl(dimethyl)silyl]oxy}-2-methylhexan-1-ol
CID 15838479
4-[Tert-butyl(dimethyl)silyl]oxy-2-methylpentan-1-ol
CID 11107222
(3R)-4,4-dimethyl-1-trimethylsilylpentane-1,3-diol
CID 12193382
5,5-Dimethyl-1-trimethylsilylhexane-1,3-diol
CID 12193385
CID 13723031
CID 13723031
(2R,3R)-3-[(tert-Butyldimethylsilyl)oxy]-2-methylpentan-1-ol
CID 14590718
4,4-Dimethyl-1-trimethylsilylpentane-1,3-diol
CID 86069072
(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

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-trimethylsilylhexane-1,3-diol?
The IUPAC name of 5-methyl-1-trimethylsilylhexane-1,3-diol (CID 5247325) is 5-methyl-1-trimethylsilylhexane-1,3-diol.
What is the SMILES notation for 5-methyl-1-trimethylsilylhexane-1,3-diol?
The canonical SMILES for 5-methyl-1-trimethylsilylhexane-1,3-diol is CC(C)CC(O)CC(O)[Si](C)(C)C.
What is the InChIKey of 5-methyl-1-trimethylsilylhexane-1,3-diol?
The InChIKey is QLFSPRVSYPNEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24O2Si/c1-8(2)6-9(11)7-10(12)13(3,4)5/h8-12H,6-7H2,1-5H3.
What are the key properties of 5-methyl-1-trimethylsilylhexane-1,3-diol?
5-methyl-1-trimethylsilylhexane-1,3-diol has a molecular weight of 204.39 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-trimethylsilylhexane-1,3-diol is sourced from PubChem (CID 5247325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).