(5S)-6,8-dimethyl-5-triethylsilyloxynon-8-enoic acid

C17H34O3Si — CID 134867138

IUPAC(5S)-6,8-dimethyl-5-triethylsilyloxynon-8-enoic acid
SMILESC=C(C)CC(C)[C@H](CCCC(=O)O)O[Si](CC)(CC)CC
InChIInChI=1S/C17H34O3Si/c1-7-21(8-2,9-3)20-16(11-10-12-17(18)19)15(6)13-14(4)5/h15-16H,4,7-13H2,1-3,5-6H3,(H,18,19)/t15?,16-/m0/s1
InChIKeyWYTXZINUSVWVAR-LYKKTTPLSA-N
MW314.54 g/mol
LogP5.23
Rot. Bonds12

About (5S)-6,8-dimethyl-5-triethylsilyloxynon-8-enoic acid

(5S)-6,8-dimethyl-5-triethylsilyloxynon-8-enoic acid (PubChem CID 134867138) has the molecular formula C17H34O3Si and a molecular weight of 314.54 g/mol. Its IUPAC name is (5S)-6,8-dimethyl-5-triethylsilyloxynon-8-enoic acid.

Molecular Properties

Compound Name(5S)-6,8-dimethyl-5-triethylsilyloxynon-8-enoic acid
PubChem CID134867138
Molecular FormulaC17H34O3Si
Molecular Weight314.54 g/mol
Exact Mass314.23
IUPAC Name(5S)-6,8-dimethyl-5-triethylsilyloxynon-8-enoic acid
SMILESC=C(C)CC(C)[C@H](CCCC(=O)O)O[Si](CC)(CC)CC
InChIInChI=1S/C17H34O3Si/c1-7-21(8-2,9-3)20-16(11-10-12-17(18)19)15(6)13-14(4)5/h15-16H,4,7-13H2,1-3,5-6H3,(H,18,19)/t15?,16-/m0/s1
InChIKeyWYTXZINUSVWVAR-LYKKTTPLSA-N
XLogP5.23
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.54
LogP ≤ 55.23
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

(3R,4S,7S,8R)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-4,8-dimethyldec-9-enoic acid
CID 10991561
(5S,6S)-6,8-dimethyl-5-triethylsilyloxynon-8-enoic acid
CID 16069439
(2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylnon-8-enoic acid
CID 24767554
(6S,7S,9E,12R)-6-[tert-butyl(dimethyl)silyl]oxy-12-[(E,2S,7S,9R)-7,9-dihydroxy-4-methyldec-4-en-2-yl]-7,9-dimethyl-1-oxacyclododec-9-en-2-one
CID 134937172
(3S,5R)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylnonanoic acid
CID 138980519
(3S,6R,7S,8S)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4,6,8,12-pentamethyl-5-oxotridec-12-enoic acid
CID 11060734
(2S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-7-methyl-2-propan-2-yloctanoic acid
CID 57189569
(2R)-7-[tert-butyl(dimethyl)silyl]oxy-3-oxo-2-prop-2-enyloctanoic acid
CID 88005283
(5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methylnon-8-enoic acid
CID 89570911
(3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methylnon-8-enoic acid
CID 101881869
5-Hydroxy-7-(trimethylsilylmethyl)oct-7-enoic acid
CID 142660480
(7R)-7-[tert-butyl(dimethyl)silyl]oxy-2,2,9-trimethylundeca-9,10-dienoic acid
CID 150681110

Frequently Asked Questions

What is the IUPAC name of (5S)-6,8-dimethyl-5-triethylsilyloxynon-8-enoic acid?
The IUPAC name of (5S)-6,8-dimethyl-5-triethylsilyloxynon-8-enoic acid (CID 134867138) is (5S)-6,8-dimethyl-5-triethylsilyloxynon-8-enoic acid.
What is the SMILES notation for (5S)-6,8-dimethyl-5-triethylsilyloxynon-8-enoic acid?
The canonical SMILES for (5S)-6,8-dimethyl-5-triethylsilyloxynon-8-enoic acid is C=C(C)CC(C)[C@H](CCCC(=O)O)O[Si](CC)(CC)CC.
What is the InChIKey of (5S)-6,8-dimethyl-5-triethylsilyloxynon-8-enoic acid?
The InChIKey is WYTXZINUSVWVAR-LYKKTTPLSA-N. The full InChI is InChI=1S/C17H34O3Si/c1-7-21(8-2,9-3)20-16(11-10-12-17(18)19)15(6)13-14(4)5/h15-16H,4,7-13H2,1-3,5-6H3,(H,18,19)/t15?,16-/m0/s1.
What are the key properties of (5S)-6,8-dimethyl-5-triethylsilyloxynon-8-enoic acid?
(5S)-6,8-dimethyl-5-triethylsilyloxynon-8-enoic acid has a molecular weight of 314.54 g/mol, XLogP of 5.23, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-6,8-dimethyl-5-triethylsilyloxynon-8-enoic acid is sourced from PubChem (CID 134867138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).