(6S)-6-hydroxy-8-(trimethylsilylmethyl)non-8-en-2-one

C13H26O2Si — CID 11172556

IUPAC(6S)-6-hydroxy-8-(trimethylsilylmethyl)non-8-en-2-one
SMILESC=C(C[C@@H](O)CCCC(C)=O)C[Si](C)(C)C
InChIInChI=1S/C13H26O2Si/c1-11(10-16(3,4)5)9-13(15)8-6-7-12(2)14/h13,15H,1,6-10H2,2-5H3/t13-/m0/s1
InChIKeyUDYDELQJQMWVLJ-ZDUSSCGKSA-N
MW242.43 g/mol
LogP3.39
Rot. Bonds8

About (6S)-6-hydroxy-8-(trimethylsilylmethyl)non-8-en-2-one

(6S)-6-hydroxy-8-(trimethylsilylmethyl)non-8-en-2-one (PubChem CID 11172556) has the molecular formula C13H26O2Si and a molecular weight of 242.43 g/mol. Its IUPAC name is (6S)-6-hydroxy-8-(trimethylsilylmethyl)non-8-en-2-one.

Molecular Properties

Compound Name(6S)-6-hydroxy-8-(trimethylsilylmethyl)non-8-en-2-one
PubChem CID11172556
Molecular FormulaC13H26O2Si
Molecular Weight242.43 g/mol
Exact Mass242.17
IUPAC Name(6S)-6-hydroxy-8-(trimethylsilylmethyl)non-8-en-2-one
SMILESC=C(C[C@@H](O)CCCC(C)=O)C[Si](C)(C)C
InChIInChI=1S/C13H26O2Si/c1-11(10-16(3,4)5)9-13(15)8-6-7-12(2)14/h13,15H,1,6-10H2,2-5H3/t13-/m0/s1
InChIKeyUDYDELQJQMWVLJ-ZDUSSCGKSA-N
XLogP3.39
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 53.39
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

(10R)-10-hydroxy-12-(trimethylsilylmethyl)tridec-12-en-6-one
CID 134942392
5-Hydroxy-7-[(trimethylsilyl)methyl]nona-7,8-dien-2-one
CID 21982536
6-Hydroxy-8-(trimethylsilylmethyl)non-8-en-2-one
CID 74936160
5-Hydroxy-7-(trimethylsilylmethyl)oct-7-enoic acid
CID 142660480
(6S)-8-(trimethylsilylmethyl)-6-trimethylsilyloxynon-8-en-2-one
CID 11232284
(E,9S)-9-hydroxy-12-trimethylsilyldodec-11-en-5-one
CID 11482622
(6R)-6-hydroxy-8-(trimethylsilylmethyl)non-8-en-2-one
CID 44156554
(10S)-10-Hydroxy-13-(trimethylsilyl)tridec-12-en-6-one
CID 71378023
6-Hydroxy-8-[(trimethylsilyl)methyl]deca-8,9-dien-2-one
CID 71415722
8-[Tert-butyl(dimethyl)silyl]oxy-6-hydroxy-5-methylideneoctan-2-one
CID 101434585
(10S)-10-hydroxy-12-(trimethylsilylmethyl)tridec-12-en-5-one
CID 102024370
(9S)-9-hydroxy-11-(trimethylsilylmethyl)dodec-11-en-5-one
CID 102024371

Frequently Asked Questions

What is the IUPAC name of (6S)-6-hydroxy-8-(trimethylsilylmethyl)non-8-en-2-one?
The IUPAC name of (6S)-6-hydroxy-8-(trimethylsilylmethyl)non-8-en-2-one (CID 11172556) is (6S)-6-hydroxy-8-(trimethylsilylmethyl)non-8-en-2-one.
What is the SMILES notation for (6S)-6-hydroxy-8-(trimethylsilylmethyl)non-8-en-2-one?
The canonical SMILES for (6S)-6-hydroxy-8-(trimethylsilylmethyl)non-8-en-2-one is C=C(C[C@@H](O)CCCC(C)=O)C[Si](C)(C)C.
What is the InChIKey of (6S)-6-hydroxy-8-(trimethylsilylmethyl)non-8-en-2-one?
The InChIKey is UDYDELQJQMWVLJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H26O2Si/c1-11(10-16(3,4)5)9-13(15)8-6-7-12(2)14/h13,15H,1,6-10H2,2-5H3/t13-/m0/s1.
What are the key properties of (6S)-6-hydroxy-8-(trimethylsilylmethyl)non-8-en-2-one?
(6S)-6-hydroxy-8-(trimethylsilylmethyl)non-8-en-2-one has a molecular weight of 242.43 g/mol, XLogP of 3.39, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-hydroxy-8-(trimethylsilylmethyl)non-8-en-2-one is sourced from PubChem (CID 11172556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).