(9S)-9-hydroxy-11-(trimethylsilylmethyl)dodec-11-en-5-one

C16H32O2Si — CID 102024371

IUPAC(9S)-9-hydroxy-11-(trimethylsilylmethyl)dodec-11-en-5-one
SMILESC=C(C[C@@H](O)CCCC(=O)CCCC)C[Si](C)(C)C
InChIInChI=1S/C16H32O2Si/c1-6-7-9-15(17)10-8-11-16(18)12-14(2)13-19(3,4)5/h16,18H,2,6-13H2,1,3-5H3/t16-/m0/s1
InChIKeyVSXODIDAKKIBTN-INIZCTEOSA-N
MW284.52 g/mol
LogP4.56
Rot. Bonds11

About (9S)-9-hydroxy-11-(trimethylsilylmethyl)dodec-11-en-5-one

(9S)-9-hydroxy-11-(trimethylsilylmethyl)dodec-11-en-5-one (PubChem CID 102024371) has the molecular formula C16H32O2Si and a molecular weight of 284.52 g/mol. Its IUPAC name is (9S)-9-hydroxy-11-(trimethylsilylmethyl)dodec-11-en-5-one.

Molecular Properties

Compound Name(9S)-9-hydroxy-11-(trimethylsilylmethyl)dodec-11-en-5-one
PubChem CID102024371
Molecular FormulaC16H32O2Si
Molecular Weight284.52 g/mol
Exact Mass284.22
IUPAC Name(9S)-9-hydroxy-11-(trimethylsilylmethyl)dodec-11-en-5-one
SMILESC=C(C[C@@H](O)CCCC(=O)CCCC)C[Si](C)(C)C
InChIInChI=1S/C16H32O2Si/c1-6-7-9-15(17)10-8-11-16(18)12-14(2)13-19(3,4)5/h16,18H,2,6-13H2,1,3-5H3/t16-/m0/s1
InChIKeyVSXODIDAKKIBTN-INIZCTEOSA-N
XLogP4.56
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.52
LogP ≤ 54.56
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
2-(3-Hydroxy-5-trimethylsilanylmethyl-hepta-5,6-dienyl)-cyclopentanone
CID 12156682
5-Hydroxy-7-[(trimethylsilyl)methyl]nona-7,8-dien-2-one
CID 21982536
6-Hydroxy-8-(trimethylsilylmethyl)non-8-en-2-one
CID 74936160
(E)-7-[diethyl(prop-1-en-2-yl)silyl]oxy-10-hydroxydec-9-en-2-one
CID 140328619
5-Hydroxy-7-(trimethylsilylmethyl)oct-7-enoic acid
CID 142660480
(4S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-8-methylidenedecan-2-one
CID 11151611
(6S)-6-hydroxy-8-(trimethylsilylmethyl)non-8-en-2-one
CID 11172556
(6S)-8-(trimethylsilylmethyl)-6-trimethylsilyloxynon-8-en-2-one
CID 11232284
(E,9S)-9-hydroxy-12-trimethylsilyldodec-11-en-5-one
CID 11482622
Cyclohexanone, 2-[3-hydroxy-5-[(trimethylsilyl)methyl]-5,6-heptadienyl]-
CID 12156684
Cycloheptanone, 2-[3-hydroxy-5-[(trimethylsilyl)methyl]-5,6-heptadienyl]-
CID 12156686

Frequently Asked Questions

What is the IUPAC name of (9S)-9-hydroxy-11-(trimethylsilylmethyl)dodec-11-en-5-one?
The IUPAC name of (9S)-9-hydroxy-11-(trimethylsilylmethyl)dodec-11-en-5-one (CID 102024371) is (9S)-9-hydroxy-11-(trimethylsilylmethyl)dodec-11-en-5-one.
What is the SMILES notation for (9S)-9-hydroxy-11-(trimethylsilylmethyl)dodec-11-en-5-one?
The canonical SMILES for (9S)-9-hydroxy-11-(trimethylsilylmethyl)dodec-11-en-5-one is C=C(C[C@@H](O)CCCC(=O)CCCC)C[Si](C)(C)C.
What is the InChIKey of (9S)-9-hydroxy-11-(trimethylsilylmethyl)dodec-11-en-5-one?
The InChIKey is VSXODIDAKKIBTN-INIZCTEOSA-N. The full InChI is InChI=1S/C16H32O2Si/c1-6-7-9-15(17)10-8-11-16(18)12-14(2)13-19(3,4)5/h16,18H,2,6-13H2,1,3-5H3/t16-/m0/s1.
What are the key properties of (9S)-9-hydroxy-11-(trimethylsilylmethyl)dodec-11-en-5-one?
(9S)-9-hydroxy-11-(trimethylsilylmethyl)dodec-11-en-5-one has a molecular weight of 284.52 g/mol, XLogP of 4.56, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9S)-9-hydroxy-11-(trimethylsilylmethyl)dodec-11-en-5-one is sourced from PubChem (CID 102024371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).