(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyloct-6-en-1-ol

C16H34O2Si — CID 10541239

IUPAC(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyloct-6-en-1-ol
SMILESCC(C)=CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)CCO
InChIInChI=1S/C16H34O2Si/c1-13(2)9-10-15(14(3)11-12-17)18-19(7,8)16(4,5)6/h9,14-15,17H,10-12H2,1-8H3/t14-,15-/m1/s1
InChIKeyQQHFDXGCGWLOCL-HUUCEWRRSA-N
MW286.53 g/mol
LogP4.75
Rot. Bonds7

About (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyloct-6-en-1-ol

(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyloct-6-en-1-ol (PubChem CID 10541239) has the molecular formula C16H34O2Si and a molecular weight of 286.53 g/mol. Its IUPAC name is (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyloct-6-en-1-ol.

Molecular Properties

Compound Name(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyloct-6-en-1-ol
PubChem CID10541239
Molecular FormulaC16H34O2Si
Molecular Weight286.53 g/mol
Exact Mass286.23
IUPAC Name(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyloct-6-en-1-ol
SMILESCC(C)=CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)CCO
InChIInChI=1S/C16H34O2Si/c1-13(2)9-10-15(14(3)11-12-17)18-19(7,8)16(4,5)6/h9,14-15,17H,10-12H2,1-8H3/t14-,15-/m1/s1
InChIKeyQQHFDXGCGWLOCL-HUUCEWRRSA-N
XLogP4.75
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.53
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[Tert-butyl(dimethyl)silyl]oxy-3-fluoro-3,7-dimethyloct-6-en-2-ol
CID 15092897
(3R,4S)-3,7-dimethyloct-6-ene-1,4-diol
CID 162944797
(3S,4S)-3,7-dimethyloct-6-ene-1,4-diol
CID 162944798
(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopent-3-en-1-ol
CID 60170022
(Z,4S,5R,6S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethylhept-2-en-1-ol
CID 10693252
2-[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylcyclohex-3-en-1-yl]propan-2-ol
CID 10880626
(5S,6S,7E,9E)-5,7,9-trimethyl-6-triethylsilyloxyundeca-7,9-dien-4-ol
CID 11416545
(E,2R,5R,6S)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylhept-3-ene-1,5-diol
CID 14525995
(1E,4R,5R,6E)-8-[tert-butyl(dimethyl)silyl]oxy-1-iodo-2,5,7-trimethylocta-1,6-dien-4-ol
CID 17755058
(3R,4S,7E,9S)-2,4,8-trimethyl-6-methylidene-9-triethylsilyloxyundeca-1,7-dien-3-ol
CID 23726370
(3R,4RS,7R)-1-(tert-Butyldimethylsilyloxy)-3,7,11-trimethyl-10-dodecen-4-ol
CID 23727931
(1R,5S)-2-methyl-5-(2-triethylsilyloxypropan-2-yl)cyclohex-2-en-1-ol
CID 24755010

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyloct-6-en-1-ol?
The IUPAC name of (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyloct-6-en-1-ol (CID 10541239) is (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyloct-6-en-1-ol.
What is the SMILES notation for (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyloct-6-en-1-ol?
The canonical SMILES for (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyloct-6-en-1-ol is CC(C)=CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)CCO.
What is the InChIKey of (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyloct-6-en-1-ol?
The InChIKey is QQHFDXGCGWLOCL-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H34O2Si/c1-13(2)9-10-15(14(3)11-12-17)18-19(7,8)16(4,5)6/h9,14-15,17H,10-12H2,1-8H3/t14-,15-/m1/s1.
What are the key properties of (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyloct-6-en-1-ol?
(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyloct-6-en-1-ol has a molecular weight of 286.53 g/mol, XLogP of 4.75, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyloct-6-en-1-ol is sourced from PubChem (CID 10541239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).