(E,2R,3R,6R)-2,4,6-trimethyl-3-triethylsilyloxynon-4-en-1-ol

C18H38O2Si — CID 101227709

IUPAC(E,2R,3R,6R)-2,4,6-trimethyl-3-triethylsilyloxynon-4-en-1-ol
SMILESCCC[C@@H](C)/C=C(\C)[C@H](O[Si](CC)(CC)CC)[C@H](C)CO
InChIInChI=1S/C18H38O2Si/c1-8-12-15(5)13-16(6)18(17(7)14-19)20-21(9-2,10-3)11-4/h13,15,17-19H,8-12,14H2,1-7H3/b16-13+/t15-,17-,18+/m1/s1
InChIKeyJJCKRTAQDAILAZ-QQNZCSPNSA-N
MW314.59 g/mol
LogP5.39
Rot. Bonds11

About (E,2R,3R,6R)-2,4,6-trimethyl-3-triethylsilyloxynon-4-en-1-ol

(E,2R,3R,6R)-2,4,6-trimethyl-3-triethylsilyloxynon-4-en-1-ol (PubChem CID 101227709) has the molecular formula C18H38O2Si and a molecular weight of 314.59 g/mol. Its IUPAC name is (E,2R,3R,6R)-2,4,6-trimethyl-3-triethylsilyloxynon-4-en-1-ol.

Molecular Properties

Compound Name(E,2R,3R,6R)-2,4,6-trimethyl-3-triethylsilyloxynon-4-en-1-ol
PubChem CID101227709
Molecular FormulaC18H38O2Si
Molecular Weight314.59 g/mol
Exact Mass314.26
IUPAC Name(E,2R,3R,6R)-2,4,6-trimethyl-3-triethylsilyloxynon-4-en-1-ol
SMILESCCC[C@@H](C)/C=C(\C)[C@H](O[Si](CC)(CC)CC)[C@H](C)CO
InChIInChI=1S/C18H38O2Si/c1-8-12-15(5)13-16(6)18(17(7)14-19)20-21(9-2,10-3)11-4/h13,15,17-19H,8-12,14H2,1-7H3/b16-13+/t15-,17-,18+/m1/s1
InChIKeyJJCKRTAQDAILAZ-QQNZCSPNSA-N
XLogP5.39
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.59
LogP ≤ 55.39
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

(2S,3R)-2-methyl-3-triethylsilyloxyhexan-1-ol
CID 57278270
(E)-3,5-dimethyloct-3-en-2-ol
CID 87272540
(E,2R,3R,6S,7R)-2,4,6-trimethyl-7-triethylsilyloxy-3-trimethylsilyloxyoct-4-enal
CID 71725889
(3R,7R)-3-methyl-7-triethylsilyloxydec-1-en-5-ol
CID 53328468
(E)-3,5-dimethyloct-3-ene
CID 169006712
[(E,3S,4S,7S)-3,5-dimethyl-7-methylsulfonyloct-5-en-4-yl]oxy-trimethylsilane
CID 101373373
(E,2R,5S,6R)-2,4,6-trimethyl-5-(phenylmethoxymethoxy)non-3-en-1-ol
CID 14194136
(2R,3S,4E,6E)-N-methoxy-N,2,4,6-tetramethyl-3-triethylsilyloxyocta-4,6-dienamide
CID 134866005
[(E,5R)-2-bromodec-2-en-5-yl]oxy-triethylsilane
CID 10861041
4-methylnon-2-en-2-yl propanoate
CID 86616919
triethyl(tetradecan-2-yloxy)silane
CID 568550
(4E,6R,7R,8E,10R)-7-(methoxymethoxy)-6,8,10-trimethyltrideca-4,8-dienal
CID 11150636

Frequently Asked Questions

What is the IUPAC name of (E,2R,3R,6R)-2,4,6-trimethyl-3-triethylsilyloxynon-4-en-1-ol?
The IUPAC name of (E,2R,3R,6R)-2,4,6-trimethyl-3-triethylsilyloxynon-4-en-1-ol (CID 101227709) is (E,2R,3R,6R)-2,4,6-trimethyl-3-triethylsilyloxynon-4-en-1-ol.
What is the SMILES notation for (E,2R,3R,6R)-2,4,6-trimethyl-3-triethylsilyloxynon-4-en-1-ol?
The canonical SMILES for (E,2R,3R,6R)-2,4,6-trimethyl-3-triethylsilyloxynon-4-en-1-ol is CCC[C@@H](C)/C=C(\C)[C@H](O[Si](CC)(CC)CC)[C@H](C)CO.
What is the InChIKey of (E,2R,3R,6R)-2,4,6-trimethyl-3-triethylsilyloxynon-4-en-1-ol?
The InChIKey is JJCKRTAQDAILAZ-QQNZCSPNSA-N. The full InChI is InChI=1S/C18H38O2Si/c1-8-12-15(5)13-16(6)18(17(7)14-19)20-21(9-2,10-3)11-4/h13,15,17-19H,8-12,14H2,1-7H3/b16-13+/t15-,17-,18+/m1/s1.
What are the key properties of (E,2R,3R,6R)-2,4,6-trimethyl-3-triethylsilyloxynon-4-en-1-ol?
(E,2R,3R,6R)-2,4,6-trimethyl-3-triethylsilyloxynon-4-en-1-ol has a molecular weight of 314.59 g/mol, XLogP of 5.39, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R,3R,6R)-2,4,6-trimethyl-3-triethylsilyloxynon-4-en-1-ol is sourced from PubChem (CID 101227709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).