(2R,4S,5S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,4-dimethyloctane-1,5-diol

C17H38O3Si — CID 10710726

IUPAC(2R,4S,5S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,4-dimethyloctane-1,5-diol
SMILESCC[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](C)C[C@@H](C)CO
InChIInChI=1S/C17H38O3Si/c1-9-15(12-20-21(7,8)17(4,5)6)16(19)14(3)10-13(2)11-18/h13-16,18-19H,9-12H2,1-8H3/t13-,14+,15+,16+/m1/s1
InChIKeyABQZPGJRDFAQDD-UGUYLWEFSA-N
MW318.57 g/mol
LogP4.05
Rot. Bonds9

About (2R,4S,5S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,4-dimethyloctane-1,5-diol

(2R,4S,5S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,4-dimethyloctane-1,5-diol (PubChem CID 10710726) has the molecular formula C17H38O3Si and a molecular weight of 318.57 g/mol. Its IUPAC name is (2R,4S,5S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,4-dimethyloctane-1,5-diol.

Molecular Properties

Compound Name(2R,4S,5S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,4-dimethyloctane-1,5-diol
PubChem CID10710726
Molecular FormulaC17H38O3Si
Molecular Weight318.57 g/mol
Exact Mass318.26
IUPAC Name(2R,4S,5S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,4-dimethyloctane-1,5-diol
SMILESCC[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](C)C[C@@H](C)CO
InChIInChI=1S/C17H38O3Si/c1-9-15(12-20-21(7,8)17(4,5)6)16(19)14(3)10-13(2)11-18/h13-16,18-19H,9-12H2,1-8H3/t13-,14+,15+,16+/m1/s1
InChIKeyABQZPGJRDFAQDD-UGUYLWEFSA-N
XLogP4.05
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.57
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2R,4S,5S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,4-dimethyloctane-1,5-diol with MolForge

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Related Compounds

(2S,3R,4S,6S,8R)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethylnonane-1,3-diol
CID 54768092
tert-butyl-dimethyl-[(2S)-2-methylbutoxy]silane
CID 133082116
(2S)-1-[tert-butyl(dimethyl)silyl]oxybutan-2-ol
CID 86606837
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
(2R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(trifluoromethyl)pentane-1,4-diol
CID 11833579
1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-ol
CID 14336173
(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethylbutan-1-ol
CID 10752078
5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-1-ol
CID 14758907
3-[[tert-butyl(dimethyl)silyl]oxymethyl]hexane-1,5-diol
CID 174174824
(E)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhex-2-en-1-ol
CID 19737479
(2S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxypropan-1-ol
CID 101238862

Frequently Asked Questions

What is the IUPAC name of (2R,4S,5S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,4-dimethyloctane-1,5-diol?
The IUPAC name of (2R,4S,5S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,4-dimethyloctane-1,5-diol (CID 10710726) is (2R,4S,5S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,4-dimethyloctane-1,5-diol.
What is the SMILES notation for (2R,4S,5S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,4-dimethyloctane-1,5-diol?
The canonical SMILES for (2R,4S,5S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,4-dimethyloctane-1,5-diol is CC[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](C)C[C@@H](C)CO.
What is the InChIKey of (2R,4S,5S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,4-dimethyloctane-1,5-diol?
The InChIKey is ABQZPGJRDFAQDD-UGUYLWEFSA-N. The full InChI is InChI=1S/C17H38O3Si/c1-9-15(12-20-21(7,8)17(4,5)6)16(19)14(3)10-13(2)11-18/h13-16,18-19H,9-12H2,1-8H3/t13-,14+,15+,16+/m1/s1.
What are the key properties of (2R,4S,5S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,4-dimethyloctane-1,5-diol?
(2R,4S,5S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,4-dimethyloctane-1,5-diol has a molecular weight of 318.57 g/mol, XLogP of 4.05, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,5S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,4-dimethyloctane-1,5-diol is sourced from PubChem (CID 10710726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).