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

C13H26O2Si — CID 74936160

IUPAC6-hydroxy-8-(trimethylsilylmethyl)non-8-en-2-one
SMILESC=C(CC(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
InChIKeyUDYDELQJQMWVLJ-UHFFFAOYSA-N
MW242.43 g/mol
LogP3.39
Rot. Bonds8

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

6-hydroxy-8-(trimethylsilylmethyl)non-8-en-2-one (PubChem CID 74936160) has the molecular formula C13H26O2Si and a molecular weight of 242.43 g/mol. Its IUPAC name is 6-hydroxy-8-(trimethylsilylmethyl)non-8-en-2-one.

Molecular Properties

Compound Name6-hydroxy-8-(trimethylsilylmethyl)non-8-en-2-one
PubChem CID74936160
Molecular FormulaC13H26O2Si
Molecular Weight242.43 g/mol
Exact Mass242.17
IUPAC Name6-hydroxy-8-(trimethylsilylmethyl)non-8-en-2-one
SMILESC=C(CC(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
InChIKeyUDYDELQJQMWVLJ-UHFFFAOYSA-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

11-hydroxytridecan-2-one
CID 11687152
6,13-dihydroxy-8-methylidenehexadeca-9,11-dien-15-yn-2-one
CID 91347208
(7S)-7-hydroxydotriacontan-2-one
CID 162871149
10-hydroxynonadecan-2-one
CID 15922920
(13R)-13-hydroxynonadecan-2-one
CID 58468474
13-hydroxyheptadecan-2-one
CID 164804784
heptadecan-2-one;hexadecan-2-one;10-hydroxyheptadecan-2-one;11-hydroxyheptadecan-2-one;pentadecan-2-one
CID 163962399
(6S,7R)-6,7-dihydroxynon-8-en-2-one
CID 59003863
(4S)-2-(trimethylsilylmethyl)pentadec-1-en-4-amine
CID 101252606
3-(trimethylsilylmethyl)but-3-enyl acetate
CID 12841797
6-prop-1-en-2-ylnonan-2-one
CID 143490282
10,13-dihydroxynonadecan-2-one
CID 164804782

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-8-(trimethylsilylmethyl)non-8-en-2-one?
The IUPAC name of 6-hydroxy-8-(trimethylsilylmethyl)non-8-en-2-one (CID 74936160) is 6-hydroxy-8-(trimethylsilylmethyl)non-8-en-2-one.
What is the SMILES notation for 6-hydroxy-8-(trimethylsilylmethyl)non-8-en-2-one?
The canonical SMILES for 6-hydroxy-8-(trimethylsilylmethyl)non-8-en-2-one is C=C(CC(O)CCCC(C)=O)C[Si](C)(C)C.
What is the InChIKey of 6-hydroxy-8-(trimethylsilylmethyl)non-8-en-2-one?
The InChIKey is UDYDELQJQMWVLJ-UHFFFAOYSA-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.
What are the key properties of 6-hydroxy-8-(trimethylsilylmethyl)non-8-en-2-one?
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 6-hydroxy-8-(trimethylsilylmethyl)non-8-en-2-one is sourced from PubChem (CID 74936160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).