(E,9S)-9-hydroxy-12-trimethylsilyldodec-11-en-5-one

C15H30O2Si — CID 11482622

IUPAC(E,9S)-9-hydroxy-12-trimethylsilyldodec-11-en-5-one
SMILESCCCCC(=O)CCC[C@H](O)C/C=C/[Si](C)(C)C
InChIInChI=1S/C15H30O2Si/c1-5-6-9-14(16)10-7-11-15(17)12-8-13-18(2,3)4/h8,13,15,17H,5-7,9-12H2,1-4H3/b13-8+/t15-/m0/s1
InChIKeyXEMRPKAJWZDIFA-NRUITVPNSA-N
MW270.49 g/mol
LogP4.10
Rot. Bonds10

About (E,9S)-9-hydroxy-12-trimethylsilyldodec-11-en-5-one

(E,9S)-9-hydroxy-12-trimethylsilyldodec-11-en-5-one (PubChem CID 11482622) has the molecular formula C15H30O2Si and a molecular weight of 270.49 g/mol. Its IUPAC name is (E,9S)-9-hydroxy-12-trimethylsilyldodec-11-en-5-one.

Molecular Properties

Compound Name(E,9S)-9-hydroxy-12-trimethylsilyldodec-11-en-5-one
PubChem CID11482622
Molecular FormulaC15H30O2Si
Molecular Weight270.49 g/mol
Exact Mass270.20
IUPAC Name(E,9S)-9-hydroxy-12-trimethylsilyldodec-11-en-5-one
SMILESCCCCC(=O)CCC[C@H](O)C/C=C/[Si](C)(C)C
InChIInChI=1S/C15H30O2Si/c1-5-6-9-14(16)10-7-11-15(17)12-8-13-18(2,3)4/h8,13,15,17H,5-7,9-12H2,1-4H3/b13-8+/t15-/m0/s1
InChIKeyXEMRPKAJWZDIFA-NRUITVPNSA-N
XLogP4.10
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

7-Oxo-11-dodecen-3-ol
CID 14752697
10-Hydroxytridec-12-en-5-one
CID 85892159
8-Hydroxydec-9-ene-3,4-dione
CID 91387103
(10R)-10-hydroxy-12-(trimethylsilylmethyl)tridec-12-en-6-one
CID 134942392
(6R,7R)-6,7-dihydroxynon-8-en-2-one
CID 135024215
13-Hydroxyhexadec-15-en-2-one
CID 10999621
10-Hydroxyundec-1-en-6-one
CID 10821365
(6S,7R)-6,7-dihydroxynon-8-en-2-one
CID 59003863
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
9-Hydroxydec-1-en-4-one
CID 141421673
7-Hydroxy-9-decen-2-one
CID 10866768

Frequently Asked Questions

What is the IUPAC name of (E,9S)-9-hydroxy-12-trimethylsilyldodec-11-en-5-one?
The IUPAC name of (E,9S)-9-hydroxy-12-trimethylsilyldodec-11-en-5-one (CID 11482622) is (E,9S)-9-hydroxy-12-trimethylsilyldodec-11-en-5-one.
What is the SMILES notation for (E,9S)-9-hydroxy-12-trimethylsilyldodec-11-en-5-one?
The canonical SMILES for (E,9S)-9-hydroxy-12-trimethylsilyldodec-11-en-5-one is CCCCC(=O)CCC[C@H](O)C/C=C/[Si](C)(C)C.
What is the InChIKey of (E,9S)-9-hydroxy-12-trimethylsilyldodec-11-en-5-one?
The InChIKey is XEMRPKAJWZDIFA-NRUITVPNSA-N. The full InChI is InChI=1S/C15H30O2Si/c1-5-6-9-14(16)10-7-11-15(17)12-8-13-18(2,3)4/h8,13,15,17H,5-7,9-12H2,1-4H3/b13-8+/t15-/m0/s1.
What are the key properties of (E,9S)-9-hydroxy-12-trimethylsilyldodec-11-en-5-one?
(E,9S)-9-hydroxy-12-trimethylsilyldodec-11-en-5-one has a molecular weight of 270.49 g/mol, XLogP of 4.10, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,9S)-9-hydroxy-12-trimethylsilyldodec-11-en-5-one is sourced from PubChem (CID 11482622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).