(7E)-7-trimethylsilyl-3,4,5,6-tetrahydro-2H-oxonin-9-one

C11H20O2Si — CID 14737040

IUPAC(7E)-7-trimethylsilyl-3,4,5,6-tetrahydro-2H-oxonin-9-one
SMILESC[Si](C)(C)/C1=C/C(=O)OCCCCC1
InChIInChI=1S/C11H20O2Si/c1-14(2,3)10-7-5-4-6-8-13-11(12)9-10/h9H,4-8H2,1-3H3/b10-9+
InChIKeyZTYRJBGHCFSZDQ-MDZDMXLPSA-N
MW212.36 g/mol
LogP2.91
Rot. Bonds1

About (7E)-7-trimethylsilyl-3,4,5,6-tetrahydro-2H-oxonin-9-one

(7E)-7-trimethylsilyl-3,4,5,6-tetrahydro-2H-oxonin-9-one (PubChem CID 14737040) has the molecular formula C11H20O2Si and a molecular weight of 212.36 g/mol. Its IUPAC name is (7E)-7-trimethylsilyl-3,4,5,6-tetrahydro-2H-oxonin-9-one.

Molecular Properties

Compound Name(7E)-7-trimethylsilyl-3,4,5,6-tetrahydro-2H-oxonin-9-one
PubChem CID14737040
Molecular FormulaC11H20O2Si
Molecular Weight212.36 g/mol
Exact Mass212.12
IUPAC Name(7E)-7-trimethylsilyl-3,4,5,6-tetrahydro-2H-oxonin-9-one
SMILESC[Si](C)(C)/C1=C/C(=O)OCCCCC1
InChIInChI=1S/C11H20O2Si/c1-14(2,3)10-7-5-4-6-8-13-11(12)9-10/h9H,4-8H2,1-3H3/b10-9+
InChIKeyZTYRJBGHCFSZDQ-MDZDMXLPSA-N
XLogP2.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

Hexyl 2-hexenoate, (2E)-
CID 6435861
Hexyl hex-2-enoate
CID 61921
Methyl (2E)-7-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-2-heptenoate
CID 11208037
(7Z)-8-fluoro-7-trimethylsilyl-3,4,5,6-tetrahydro-2H-oxonin-9-one
CID 14737057
Hexyl (E)-oct-2-enoate
CID 5743962
Hexyl oct-2-enoate
CID 53436656
2-Heptenoic acid, hexyl ester
CID 13465298
ethyl (2E,7Z)-10-trimethylsilyldeca-2,7-dienoate
CID 14617533
ethyl (E)-2-trimethylsilylnon-2-enoate
CID 101514507
methyl (E)-3-methyl-6-triethylsilyloxyhex-2-enoate
CID 101521912
6-O-butyl 1-O-ethyl (Z)-3-trimethylsilylhex-2-enedioate
CID 134916338
1-O-ethyl 6-O-methyl (Z)-3-trimethylsilylhex-2-enedioate
CID 134988018

Frequently Asked Questions

What is the IUPAC name of (7E)-7-trimethylsilyl-3,4,5,6-tetrahydro-2H-oxonin-9-one?
The IUPAC name of (7E)-7-trimethylsilyl-3,4,5,6-tetrahydro-2H-oxonin-9-one (CID 14737040) is (7E)-7-trimethylsilyl-3,4,5,6-tetrahydro-2H-oxonin-9-one.
What is the SMILES notation for (7E)-7-trimethylsilyl-3,4,5,6-tetrahydro-2H-oxonin-9-one?
The canonical SMILES for (7E)-7-trimethylsilyl-3,4,5,6-tetrahydro-2H-oxonin-9-one is C[Si](C)(C)/C1=C/C(=O)OCCCCC1.
What is the InChIKey of (7E)-7-trimethylsilyl-3,4,5,6-tetrahydro-2H-oxonin-9-one?
The InChIKey is ZTYRJBGHCFSZDQ-MDZDMXLPSA-N. The full InChI is InChI=1S/C11H20O2Si/c1-14(2,3)10-7-5-4-6-8-13-11(12)9-10/h9H,4-8H2,1-3H3/b10-9+.
What are the key properties of (7E)-7-trimethylsilyl-3,4,5,6-tetrahydro-2H-oxonin-9-one?
(7E)-7-trimethylsilyl-3,4,5,6-tetrahydro-2H-oxonin-9-one has a molecular weight of 212.36 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7E)-7-trimethylsilyl-3,4,5,6-tetrahydro-2H-oxonin-9-one is sourced from PubChem (CID 14737040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).