(10S)-10-hydroxy-12-(trimethylsilylmethyl)tridec-12-en-5-one

C17H34O2Si — CID 102024370

IUPAC(10S)-10-hydroxy-12-(trimethylsilylmethyl)tridec-12-en-5-one
SMILESC=C(C[C@@H](O)CCCCC(=O)CCCC)C[Si](C)(C)C
InChIInChI=1S/C17H34O2Si/c1-6-7-10-16(18)11-8-9-12-17(19)13-15(2)14-20(3,4)5/h17,19H,2,6-14H2,1,3-5H3/t17-/m0/s1
InChIKeyFEWNFTVMBYPQQB-KRWDZBQOSA-N
MW298.54 g/mol
LogP4.95
Rot. Bonds12

About (10S)-10-hydroxy-12-(trimethylsilylmethyl)tridec-12-en-5-one

(10S)-10-hydroxy-12-(trimethylsilylmethyl)tridec-12-en-5-one (PubChem CID 102024370) has the molecular formula C17H34O2Si and a molecular weight of 298.54 g/mol. Its IUPAC name is (10S)-10-hydroxy-12-(trimethylsilylmethyl)tridec-12-en-5-one.

Molecular Properties

Compound Name(10S)-10-hydroxy-12-(trimethylsilylmethyl)tridec-12-en-5-one
PubChem CID102024370
Molecular FormulaC17H34O2Si
Molecular Weight298.54 g/mol
Exact Mass298.23
IUPAC Name(10S)-10-hydroxy-12-(trimethylsilylmethyl)tridec-12-en-5-one
SMILESC=C(C[C@@H](O)CCCCC(=O)CCCC)C[Si](C)(C)C
InChIInChI=1S/C17H34O2Si/c1-6-7-10-16(18)11-8-9-12-17(19)13-15(2)14-20(3,4)5/h17,19H,2,6-14H2,1,3-5H3/t17-/m0/s1
InChIKeyFEWNFTVMBYPQQB-KRWDZBQOSA-N
XLogP4.95
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.54
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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
1-Cyclopenten-3-one, 1-(2-hydroxyoctyl)-2-trimethylsilyl-
CID 619322
(3E)-7-hydroxy-3-(trimethylsilylmethylidene)heptan-2-one
CID 20765115
5-Hydroxy-7-[(trimethylsilyl)methyl]nona-7,8-dien-2-one
CID 21982536
7-Hydroxy-3-(trimethylsilylmethylidene)heptan-2-one
CID 73705628
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
2-Ethyl-4-triethylsilyloxydec-1-ene-1,9-dione
CID 140333756
(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
3-Hydroxy-2-methylidene-1-trimethylsilyldodecan-1-one
CID 15039578

Frequently Asked Questions

What is the IUPAC name of (10S)-10-hydroxy-12-(trimethylsilylmethyl)tridec-12-en-5-one?
The IUPAC name of (10S)-10-hydroxy-12-(trimethylsilylmethyl)tridec-12-en-5-one (CID 102024370) is (10S)-10-hydroxy-12-(trimethylsilylmethyl)tridec-12-en-5-one.
What is the SMILES notation for (10S)-10-hydroxy-12-(trimethylsilylmethyl)tridec-12-en-5-one?
The canonical SMILES for (10S)-10-hydroxy-12-(trimethylsilylmethyl)tridec-12-en-5-one is C=C(C[C@@H](O)CCCCC(=O)CCCC)C[Si](C)(C)C.
What is the InChIKey of (10S)-10-hydroxy-12-(trimethylsilylmethyl)tridec-12-en-5-one?
The InChIKey is FEWNFTVMBYPQQB-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H34O2Si/c1-6-7-10-16(18)11-8-9-12-17(19)13-15(2)14-20(3,4)5/h17,19H,2,6-14H2,1,3-5H3/t17-/m0/s1.
What are the key properties of (10S)-10-hydroxy-12-(trimethylsilylmethyl)tridec-12-en-5-one?
(10S)-10-hydroxy-12-(trimethylsilylmethyl)tridec-12-en-5-one has a molecular weight of 298.54 g/mol, XLogP of 4.95, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (10S)-10-hydroxy-12-(trimethylsilylmethyl)tridec-12-en-5-one is sourced from PubChem (CID 102024370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).