ethyl-ethylidene-[3-(trimethylsilylmethyl)but-3-enyl]azanium

C12H26NSi+ — CID 10689964

IUPACethyl-ethylidene-[3-(trimethylsilylmethyl)but-3-enyl]azanium
SMILESC=C(CC/[N+](=C/C)CC)C[Si](C)(C)C
InChIInChI=1S/C12H26NSi/c1-7-13(8-2)10-9-12(3)11-14(4,5)6/h7H,3,8-11H2,1-2,4-6H3/q+1/b13-7+
InChIKeyRVTCNGMETDOELJ-NTUHNPAUSA-N
MW212.43 g/mol
LogP3.39
Rot. Bonds6

About ethyl-ethylidene-[3-(trimethylsilylmethyl)but-3-enyl]azanium

ethyl-ethylidene-[3-(trimethylsilylmethyl)but-3-enyl]azanium (PubChem CID 10689964) has the molecular formula C12H26NSi+ and a molecular weight of 212.43 g/mol. Its IUPAC name is ethyl-ethylidene-[3-(trimethylsilylmethyl)but-3-enyl]azanium.

Molecular Properties

Compound Nameethyl-ethylidene-[3-(trimethylsilylmethyl)but-3-enyl]azanium
PubChem CID10689964
Molecular FormulaC12H26NSi+
Molecular Weight212.43 g/mol
Exact Mass212.18
IUPAC Nameethyl-ethylidene-[3-(trimethylsilylmethyl)but-3-enyl]azanium
SMILESC=C(CC/[N+](=C/C)CC)C[Si](C)(C)C
InChIInChI=1S/C12H26NSi/c1-7-13(8-2)10-9-12(3)11-14(4,5)6/h7H,3,8-11H2,1-2,4-6H3/q+1/b13-7+
InChIKeyRVTCNGMETDOELJ-NTUHNPAUSA-N
XLogP3.39
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.43
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

N,N-dipropyl-3-(trimethylsilylmethyl)but-3-en-1-amine
CID 642577
trimethyl-(8-methyl-2-methylidenenon-8-enyl)silane
CID 84820166
trichloro-[2-(trimethylsilylmethyl)prop-2-enyl]silane
CID 134961529
3-(trimethylsilylmethyl)but-3-enyl acetate
CID 12841797
2-ethoxyprop-2-enyl(trimethyl)silane
CID 13185405
N-[bromo(3-trimethylsilylprop-1-en-2-yl)boranyl]-N-methylmethanamine
CID 139833201
2,2-dimethyl-5-(trimethylsilylmethyl)hex-5-en-3-ol
CID 10987643
(4S)-2-(trimethylsilylmethyl)pentadec-1-en-4-amine
CID 101252606
6-hydroxy-8-(trimethylsilylmethyl)non-8-en-2-one
CID 74936160
2-[2-(trimethylsilylmethyl)prop-2-enyl]cyclopent-2-en-1-one
CID 10398158
ethyl-ethylidene-[(Z)-3-phenyl-2-trimethylsilylprop-2-enyl]azanium;hexachloroantimony(1-)
CID 16687306
(E)-2-methylidenehex-4-en-1-ol
CID 15564150

Frequently Asked Questions

What is the IUPAC name of ethyl-ethylidene-[3-(trimethylsilylmethyl)but-3-enyl]azanium?
The IUPAC name of ethyl-ethylidene-[3-(trimethylsilylmethyl)but-3-enyl]azanium (CID 10689964) is ethyl-ethylidene-[3-(trimethylsilylmethyl)but-3-enyl]azanium.
What is the SMILES notation for ethyl-ethylidene-[3-(trimethylsilylmethyl)but-3-enyl]azanium?
The canonical SMILES for ethyl-ethylidene-[3-(trimethylsilylmethyl)but-3-enyl]azanium is C=C(CC/[N+](=C/C)CC)C[Si](C)(C)C.
What is the InChIKey of ethyl-ethylidene-[3-(trimethylsilylmethyl)but-3-enyl]azanium?
The InChIKey is RVTCNGMETDOELJ-NTUHNPAUSA-N. The full InChI is InChI=1S/C12H26NSi/c1-7-13(8-2)10-9-12(3)11-14(4,5)6/h7H,3,8-11H2,1-2,4-6H3/q+1/b13-7+.
What are the key properties of ethyl-ethylidene-[3-(trimethylsilylmethyl)but-3-enyl]azanium?
ethyl-ethylidene-[3-(trimethylsilylmethyl)but-3-enyl]azanium has a molecular weight of 212.43 g/mol, XLogP of 3.39, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-ethylidene-[3-(trimethylsilylmethyl)but-3-enyl]azanium is sourced from PubChem (CID 10689964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).