(4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-ethyl-4-methylheptan-3-ol

C16H36O2Si — CID 154722181

IUPAC(4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-ethyl-4-methylheptan-3-ol
SMILESCCC(O)(CC)[C@H](C)C[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H36O2Si/c1-10-16(17,11-2)13(3)12-14(4)18-19(8,9)15(5,6)7/h13-14,17H,10-12H2,1-9H3/t13-,14-/m1/s1
InChIKeyCWBWFBFPVCJEKL-ZIAGYGMSSA-N
MW288.55 g/mol
LogP4.97
Rot. Bonds7

About (4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-ethyl-4-methylheptan-3-ol

(4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-ethyl-4-methylheptan-3-ol (PubChem CID 154722181) has the molecular formula C16H36O2Si and a molecular weight of 288.55 g/mol. Its IUPAC name is (4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-ethyl-4-methylheptan-3-ol.

Molecular Properties

Compound Name(4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-ethyl-4-methylheptan-3-ol
PubChem CID154722181
Molecular FormulaC16H36O2Si
Molecular Weight288.55 g/mol
Exact Mass288.25
IUPAC Name(4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-ethyl-4-methylheptan-3-ol
SMILESCCC(O)(CC)[C@H](C)C[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H36O2Si/c1-10-16(17,11-2)13(3)12-14(4)18-19(8,9)15(5,6)7/h13-14,17H,10-12H2,1-9H3/t13-,14-/m1/s1
InChIKeyCWBWFBFPVCJEKL-ZIAGYGMSSA-N
XLogP4.97
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.55
LogP ≤ 54.97
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

butan-2-yloxy-tert-butyl-dimethylsilane;methane
CID 158755840
(E,2S,4R)-2-[tert-butyl(dimethyl)silyl]oxy-7-methylnon-6-en-4-ol
CID 140658624
3-[tert-butyl(dimethyl)silyl]oxybutan-1-ol
CID 554645
(4R,6R,8S)-8-[tert-butyl(dimethyl)silyl]oxynon-1-ene-4,6-diol
CID 10935112
(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanenitrile
CID 11009699
(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanal
CID 102285060
(2S)-2-[tert-butyl(dimethyl)silyl]oxyocta-5,7-diyn-4-ol
CID 11747133
(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxiran-2-yl]pentan-2-ol
CID 132933670
tert-butyl-(4-iodobutan-2-yloxy)-dimethylsilane
CID 11130810
(2R)-2-[tert-butyl(dimethyl)silyl]oxy-N,N-dimethylpropan-1-amine
CID 156904543
tert-butyl-[(2S)-4-iodobutan-2-yl]oxy-dimethylsilane
CID 10946949
(3R)-3-[tert-butyl(dimethyl)silyl]oxybutan-1-amine
CID 88577810

Frequently Asked Questions

What is the IUPAC name of (4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-ethyl-4-methylheptan-3-ol?
The IUPAC name of (4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-ethyl-4-methylheptan-3-ol (CID 154722181) is (4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-ethyl-4-methylheptan-3-ol.
What is the SMILES notation for (4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-ethyl-4-methylheptan-3-ol?
The canonical SMILES for (4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-ethyl-4-methylheptan-3-ol is CCC(O)(CC)[C@H](C)C[C@@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-ethyl-4-methylheptan-3-ol?
The InChIKey is CWBWFBFPVCJEKL-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H36O2Si/c1-10-16(17,11-2)13(3)12-14(4)18-19(8,9)15(5,6)7/h13-14,17H,10-12H2,1-9H3/t13-,14-/m1/s1.
What are the key properties of (4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-ethyl-4-methylheptan-3-ol?
(4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-ethyl-4-methylheptan-3-ol has a molecular weight of 288.55 g/mol, XLogP of 4.97, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-ethyl-4-methylheptan-3-ol is sourced from PubChem (CID 154722181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).