trimethylsilyl hex-2-enoate

C9H18O2Si — CID 598634

IUPACtrimethylsilyl hex-2-enoate
SMILESCCCC=CC(=O)O[Si](C)(C)C
InChIInChI=1S/C9H18O2Si/c1-5-6-7-8-9(10)11-12(2,3)4/h7-8H,5-6H2,1-4H3
InChIKeyKARYOLQGIPCTTG-UHFFFAOYSA-N
MW186.33 g/mol
LogP2.72
Rot. Bonds4

About trimethylsilyl hex-2-enoate

trimethylsilyl hex-2-enoate (PubChem CID 598634) has the molecular formula C9H18O2Si and a molecular weight of 186.33 g/mol. Its IUPAC name is trimethylsilyl hex-2-enoate.

Molecular Properties

Compound Nametrimethylsilyl hex-2-enoate
PubChem CID598634
Molecular FormulaC9H18O2Si
Molecular Weight186.33 g/mol
Exact Mass186.11
IUPAC Nametrimethylsilyl hex-2-enoate
SMILESCCCC=CC(=O)O[Si](C)(C)C
InChIInChI=1S/C9H18O2Si/c1-5-6-7-8-9(10)11-12(2,3)4/h7-8H,5-6H2,1-4H3
InChIKeyKARYOLQGIPCTTG-UHFFFAOYSA-N
XLogP2.72
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.33
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[dimethyl(octadec-2-enoyloxy)silyl] octadec-2-enoate
CID 170848581
bis(trimethylsilyl) pent-2-enedioate
CID 553041
carboxy hex-2-enoate
CID 150448885
trimethylsilyl (E)-4-(dipropylamino)-4-oxobut-2-enoate
CID 13183050
[(E)-hex-2-enoyl]oxymethyl-tris(hydroxymethyl)azanium
CID 102117248
1-hydroxyethyl hex-2-enoate
CID 175435147
(4E,7E)-undeca-4,7-dien-6-one
CID 23366329
(E)-hex-2-enoic acid
CID 5282707
bis[(Z)-hex-2-enyl] (E)-but-2-enedioate
CID 24805711
docosakis(hex-2-enoic acid);phosphane
CID 174896095
ethyl (E)-6-trimethylsilyloxyhex-2-enoate
CID 15947845
bis(trimethylsilyl) (Z)-oct-4-enedioate
CID 91753100

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl hex-2-enoate?
The IUPAC name of trimethylsilyl hex-2-enoate (CID 598634) is trimethylsilyl hex-2-enoate.
What is the SMILES notation for trimethylsilyl hex-2-enoate?
The canonical SMILES for trimethylsilyl hex-2-enoate is CCCC=CC(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl hex-2-enoate?
The InChIKey is KARYOLQGIPCTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2Si/c1-5-6-7-8-9(10)11-12(2,3)4/h7-8H,5-6H2,1-4H3.
What are the key properties of trimethylsilyl hex-2-enoate?
trimethylsilyl hex-2-enoate has a molecular weight of 186.33 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl hex-2-enoate is sourced from PubChem (CID 598634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).