(2S,4R,6R)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylheptan-1-ol

C16H36O2Si — CID 11673678

IUPAC(2S,4R,6R)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylheptan-1-ol
SMILESC[C@H](C[C@H](C)CO)C[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H36O2Si/c1-13(9-14(2)11-17)10-15(3)12-18-19(7,8)16(4,5)6/h13-15,17H,9-12H2,1-8H3/t13-,14+,15-/m1/s1
InChIKeyNRQCSMBOQNSJRE-QLFBSQMISA-N
MW288.55 g/mol
LogP4.69
Rot. Bonds8

About (2S,4R,6R)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylheptan-1-ol

(2S,4R,6R)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylheptan-1-ol (PubChem CID 11673678) has the molecular formula C16H36O2Si and a molecular weight of 288.55 g/mol. Its IUPAC name is (2S,4R,6R)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylheptan-1-ol.

Molecular Properties

Compound Name(2S,4R,6R)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylheptan-1-ol
PubChem CID11673678
Molecular FormulaC16H36O2Si
Molecular Weight288.55 g/mol
Exact Mass288.25
IUPAC Name(2S,4R,6R)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylheptan-1-ol
SMILESC[C@H](C[C@H](C)CO)C[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H36O2Si/c1-13(9-14(2)11-17)10-15(3)12-18-19(7,8)16(4,5)6/h13-15,17H,9-12H2,1-8H3/t13-,14+,15-/m1/s1
InChIKeyNRQCSMBOQNSJRE-QLFBSQMISA-N
XLogP4.69
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.55
LogP ≤ 54.69
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

10-((tert-Butyldimethylsilyl)oxy)decan-1-ol
CID 11044434
tert-butyl-dimethyl-[(3S)-3-methylundecoxy]silane
CID 11312646
16-[Tert-butyl(dimethyl)silyl]oxyhexadecan-1-ol
CID 71762408
(s)-t-Butyl(dimethyl)[(13-methylheptadecyl)oxy]silane
CID 146679947
Silane, diethylbutoxy(2-ethylhexyloxy)-
CID 91739206
Silane, diethylheptyloxyisohexyloxy-
CID 91740259
Silane, diethylheptyloxy(3-methylpentyloxy)-
CID 91740260
Silane, diethylheptyloxy(2-methylpentyloxy)-
CID 91740261
Silane, diethyl(2-ethylhexyloxy)pentyloxy-
CID 91740267
Silane, diethyl(2-ethylbutoxy)heptyloxy-
CID 91740291
Silane, diethyl(2-ethylhexyloxy)isohexyloxy-
CID 91741054
Silane, diethyl(2-ethylhexyloxy)hexyloxy-
CID 91741068

Frequently Asked Questions

What is the IUPAC name of (2S,4R,6R)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylheptan-1-ol?
The IUPAC name of (2S,4R,6R)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylheptan-1-ol (CID 11673678) is (2S,4R,6R)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylheptan-1-ol.
What is the SMILES notation for (2S,4R,6R)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylheptan-1-ol?
The canonical SMILES for (2S,4R,6R)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylheptan-1-ol is C[C@H](C[C@H](C)CO)C[C@@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S,4R,6R)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylheptan-1-ol?
The InChIKey is NRQCSMBOQNSJRE-QLFBSQMISA-N. The full InChI is InChI=1S/C16H36O2Si/c1-13(9-14(2)11-17)10-15(3)12-18-19(7,8)16(4,5)6/h13-15,17H,9-12H2,1-8H3/t13-,14+,15-/m1/s1.
What are the key properties of (2S,4R,6R)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylheptan-1-ol?
(2S,4R,6R)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylheptan-1-ol has a molecular weight of 288.55 g/mol, XLogP of 4.69, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R,6R)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylheptan-1-ol is sourced from PubChem (CID 11673678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).