(6R,12R)-12-[tert-butyl(dimethyl)silyl]oxy-13-methyltetradecan-6-ol

C21H46O2Si — CID 101202761

IUPAC(6R,12R)-12-[tert-butyl(dimethyl)silyl]oxy-13-methyltetradecan-6-ol
SMILESCCCCC[C@@H](O)CCCCC[C@@H](O[Si](C)(C)C(C)(C)C)C(C)C
InChIInChI=1S/C21H46O2Si/c1-9-10-12-15-19(22)16-13-11-14-17-20(18(2)3)23-24(7,8)21(4,5)6/h18-20,22H,9-17H2,1-8H3/t19-,20-/m1/s1
InChIKeyQMKOEQCUIXFEKQ-WOJBJXKFSA-N
MW358.68 g/mol
LogP6.92
Rot. Bonds13

About (6R,12R)-12-[tert-butyl(dimethyl)silyl]oxy-13-methyltetradecan-6-ol

(6R,12R)-12-[tert-butyl(dimethyl)silyl]oxy-13-methyltetradecan-6-ol (PubChem CID 101202761) has the molecular formula C21H46O2Si and a molecular weight of 358.68 g/mol. Its IUPAC name is (6R,12R)-12-[tert-butyl(dimethyl)silyl]oxy-13-methyltetradecan-6-ol.

Molecular Properties

Compound Name(6R,12R)-12-[tert-butyl(dimethyl)silyl]oxy-13-methyltetradecan-6-ol
PubChem CID101202761
Molecular FormulaC21H46O2Si
Molecular Weight358.68 g/mol
Exact Mass358.33
IUPAC Name(6R,12R)-12-[tert-butyl(dimethyl)silyl]oxy-13-methyltetradecan-6-ol
SMILESCCCCC[C@@H](O)CCCCC[C@@H](O[Si](C)(C)C(C)(C)C)C(C)C
InChIInChI=1S/C21H46O2Si/c1-9-10-12-15-19(22)16-13-11-14-17-20(18(2)3)23-24(7,8)21(4,5)6/h18-20,22H,9-17H2,1-8H3/t19-,20-/m1/s1
InChIKeyQMKOEQCUIXFEKQ-WOJBJXKFSA-N
XLogP6.92
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.68
LogP ≤ 56.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

10-((tert-Butyldimethylsilyl)oxy)decan-1-ol
CID 11044434
1-[2-(Trimethylsilylmethyl)cyclopropyl]heptan-1-ol
CID 14214592
(2S,4S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylheptan-2-ol
CID 154722508
(4R)-4-[tert-butyl(dimethyl)silyl]oxynonan-1-ol
CID 54576111
16-[Tert-butyl(dimethyl)silyl]oxyhexadecan-1-ol
CID 71762408
Silane, diethylisohexyloxy(2-octyloxy)-
CID 91698413
Silane, diethyl(6-ethyloct-3-yloxy)propoxy-
CID 91714695
Silane, diethyl(6-ethyloct-3-yloxy)pentyloxy-
CID 91723826
Silane, dimethyl(2-decyloxy)isohexyloxy-
CID 91733279
Silane, dimethyl(2-octyloxy)isohexyloxy-
CID 91733285
Silane, dimethyl(4-methylpent-2-yloxy)decyloxy-
CID 91739172
Silane, diethylheptyloxy(2-methylpent-3-yloxy)-
CID 91740262

Frequently Asked Questions

What is the IUPAC name of (6R,12R)-12-[tert-butyl(dimethyl)silyl]oxy-13-methyltetradecan-6-ol?
The IUPAC name of (6R,12R)-12-[tert-butyl(dimethyl)silyl]oxy-13-methyltetradecan-6-ol (CID 101202761) is (6R,12R)-12-[tert-butyl(dimethyl)silyl]oxy-13-methyltetradecan-6-ol.
What is the SMILES notation for (6R,12R)-12-[tert-butyl(dimethyl)silyl]oxy-13-methyltetradecan-6-ol?
The canonical SMILES for (6R,12R)-12-[tert-butyl(dimethyl)silyl]oxy-13-methyltetradecan-6-ol is CCCCC[C@@H](O)CCCCC[C@@H](O[Si](C)(C)C(C)(C)C)C(C)C.
What is the InChIKey of (6R,12R)-12-[tert-butyl(dimethyl)silyl]oxy-13-methyltetradecan-6-ol?
The InChIKey is QMKOEQCUIXFEKQ-WOJBJXKFSA-N. The full InChI is InChI=1S/C21H46O2Si/c1-9-10-12-15-19(22)16-13-11-14-17-20(18(2)3)23-24(7,8)21(4,5)6/h18-20,22H,9-17H2,1-8H3/t19-,20-/m1/s1.
What are the key properties of (6R,12R)-12-[tert-butyl(dimethyl)silyl]oxy-13-methyltetradecan-6-ol?
(6R,12R)-12-[tert-butyl(dimethyl)silyl]oxy-13-methyltetradecan-6-ol has a molecular weight of 358.68 g/mol, XLogP of 6.92, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,12R)-12-[tert-butyl(dimethyl)silyl]oxy-13-methyltetradecan-6-ol is sourced from PubChem (CID 101202761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).