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

C16H34O2Si — CID 14322955

IUPAC(3R)-3-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyloct-6-en-1-ol
SMILESCC(C)=CCC[C@](C)(CCO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H34O2Si/c1-14(2)10-9-11-16(6,12-13-17)18-19(7,8)15(3,4)5/h10,17H,9,11-13H2,1-8H3/t16-/m1/s1
InChIKeyNEPRVEJSTWYUML-MRXNPFEDSA-N
MW286.53 g/mol
LogP4.90
Rot. Bonds7

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

(3R)-3-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyloct-6-en-1-ol (PubChem CID 14322955) has the molecular formula C16H34O2Si and a molecular weight of 286.53 g/mol. Its IUPAC name is (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyloct-6-en-1-ol.

Molecular Properties

Compound Name(3R)-3-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyloct-6-en-1-ol
PubChem CID14322955
Molecular FormulaC16H34O2Si
Molecular Weight286.53 g/mol
Exact Mass286.23
IUPAC Name(3R)-3-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyloct-6-en-1-ol
SMILESCC(C)=CCC[C@](C)(CCO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H34O2Si/c1-14(2)10-9-11-16(6,12-13-17)18-19(7,8)15(3,4)5/h10,17H,9,11-13H2,1-8H3/t16-/m1/s1
InChIKeyNEPRVEJSTWYUML-MRXNPFEDSA-N
XLogP4.90
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 ≤ 54.90
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
(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopent-3-en-1-ol
CID 60170022
(5S,6S,7E,9E)-5,7,9-trimethyl-6-triethylsilyloxyundeca-7,9-dien-4-ol
CID 11416545
[(1R,2R)-3-methyl-2-trimethylsilyl-1-[tri(propan-2-yl)silyloxymethyl]cyclohex-3-en-1-yl]methanol
CID 14961479
(3R,4RS,7R)-1-(tert-Butyldimethylsilyloxy)-3,7,11-trimethyl-10-dodecen-4-ol
CID 23727931
(E,4S,5S,6S)-1-[tert-butyl(dimethyl)silyl]oxy-5-methylnon-2-ene-4,6-diol
CID 44604556
(1S,2R)-1-ethyl-5-tri(propan-2-yl)silyloxycyclohex-4-ene-1,2-diol
CID 53329014
(E)-11-[tert-butyl(dimethyl)silyl]oxy-7-methyl-5-methylideneundec-6-en-1-ol
CID 135022883
(E)-6-[tert-butyl(dimethyl)silyl]oxy-4-propan-2-ylhept-4-en-1-ol
CID 135044249
(3R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylhept-6-en-3-ol
CID 154715892
(2E,5S,6S,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-2,6,8-trimethyldeca-2,8-diene-1,5-diol
CID 11371296
(3S,4S,6E,9R,10E)-3,9-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methyldodeca-6,10-dien-1-ol
CID 50915854

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyloct-6-en-1-ol?
The IUPAC name of (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyloct-6-en-1-ol (CID 14322955) is (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyloct-6-en-1-ol.
What is the SMILES notation for (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyloct-6-en-1-ol?
The canonical SMILES for (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyloct-6-en-1-ol is CC(C)=CCC[C@](C)(CCO)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyloct-6-en-1-ol?
The InChIKey is NEPRVEJSTWYUML-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H34O2Si/c1-14(2)10-9-11-16(6,12-13-17)18-19(7,8)15(3,4)5/h10,17H,9,11-13H2,1-8H3/t16-/m1/s1.
What are the key properties of (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyloct-6-en-1-ol?
(3R)-3-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyloct-6-en-1-ol has a molecular weight of 286.53 g/mol, XLogP of 4.90, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyloct-6-en-1-ol is sourced from PubChem (CID 14322955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).