(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylheptan-3-ol

C16H36O2Si — CID 134903440

IUPAC(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylheptan-3-ol
SMILESCC(C)[C@@H](O)C[C@@H](O[Si](C)(C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C16H36O2Si/c1-12(2)13(17)11-14(15(3,4)5)18-19(9,10)16(6,7)8/h12-14,17H,11H2,1-10H3/t13-,14+/m0/s1
InChIKeyRHOQRHPDPNGWJW-UONOGXRCSA-N
MW288.55 g/mol
LogP4.83
Rot. Bonds5

About (3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylheptan-3-ol

(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylheptan-3-ol (PubChem CID 134903440) has the molecular formula C16H36O2Si and a molecular weight of 288.55 g/mol. Its IUPAC name is (3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylheptan-3-ol.

Molecular Properties

Compound Name(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylheptan-3-ol
PubChem CID134903440
Molecular FormulaC16H36O2Si
Molecular Weight288.55 g/mol
Exact Mass288.25
IUPAC Name(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylheptan-3-ol
SMILESCC(C)[C@@H](O)C[C@@H](O[Si](C)(C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C16H36O2Si/c1-12(2)13(17)11-14(15(3,4)5)18-19(9,10)16(6,7)8/h12-14,17H,11H2,1-10H3/t13-,14+/m0/s1
InChIKeyRHOQRHPDPNGWJW-UONOGXRCSA-N
XLogP4.83
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.55
LogP ≤ 54.83
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

7-[Tert-butyl(dimethyl)silyl]oxy-6,6-dimethylheptane-1,5-diol
CID 59012169
(2S,4S)-4-[ditert-butyl(fluoro)silyl]oxy-5,5-dimethylhexan-2-ol
CID 10870508
(2R,4S)-4-[ditert-butyl(fluoro)silyl]oxy-5,5-dimethylhexan-2-ol
CID 10881343
(6R,12R)-12-[tert-butyl(dimethyl)silyl]oxy-13-methyltetradecan-6-ol
CID 101202761
(3s,4s)-3-[t-Butyl(dimethyl)silyloxy]-4-methyldecan-1-ol
CID 129747570
(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyloctan-1-ol
CID 134857526
(3R,5S,6S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methylheptan-3-ol
CID 134931135
(2S,3S,5R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylheptane-3,5-diol
CID 134931680
(3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylheptan-3-ol
CID 134978901
3-[Tert-butyl(dimethyl)silyl]oxy-2-ethylhexan-1-ol
CID 146163917
(2S,4S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyloctan-1-ol
CID 162397864
1-[1-[[Tert-butyl(dimethyl)silyl]oxymethyl]cyclobutyl]propan-1-ol
CID 22244500

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylheptan-3-ol?
The IUPAC name of (3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylheptan-3-ol (CID 134903440) is (3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylheptan-3-ol.
What is the SMILES notation for (3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylheptan-3-ol?
The canonical SMILES for (3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylheptan-3-ol is CC(C)[C@@H](O)C[C@@H](O[Si](C)(C)C(C)(C)C)C(C)(C)C.
What is the InChIKey of (3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylheptan-3-ol?
The InChIKey is RHOQRHPDPNGWJW-UONOGXRCSA-N. The full InChI is InChI=1S/C16H36O2Si/c1-12(2)13(17)11-14(15(3,4)5)18-19(9,10)16(6,7)8/h12-14,17H,11H2,1-10H3/t13-,14+/m0/s1.
What are the key properties of (3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylheptan-3-ol?
(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylheptan-3-ol has a molecular weight of 288.55 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylheptan-3-ol is sourced from PubChem (CID 134903440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).