trimethyl-[3-[(E,2S)-pent-3-en-2-yl]oxyprop-1-ynyl]silane

C11H20OSi — CID 101028889

IUPACtrimethyl-[3-[(E,2S)-pent-3-en-2-yl]oxyprop-1-ynyl]silane
SMILESC/C=C/[C@H](C)OCC#C[Si](C)(C)C
InChIInChI=1S/C11H20OSi/c1-6-8-11(2)12-9-7-10-13(3,4)5/h6,8,11H,9H2,1-5H3/b8-6+/t11-/m0/s1
InChIKeyMHEQTIBHLGHTKV-IOCXFXADSA-N
MW196.37 g/mol
LogP2.85
Rot. Bonds3

About trimethyl-[3-[(E,2S)-pent-3-en-2-yl]oxyprop-1-ynyl]silane

trimethyl-[3-[(E,2S)-pent-3-en-2-yl]oxyprop-1-ynyl]silane (PubChem CID 101028889) has the molecular formula C11H20OSi and a molecular weight of 196.37 g/mol. Its IUPAC name is trimethyl-[3-[(E,2S)-pent-3-en-2-yl]oxyprop-1-ynyl]silane.

Molecular Properties

Compound Nametrimethyl-[3-[(E,2S)-pent-3-en-2-yl]oxyprop-1-ynyl]silane
PubChem CID101028889
Molecular FormulaC11H20OSi
Molecular Weight196.37 g/mol
Exact Mass196.13
IUPAC Nametrimethyl-[3-[(E,2S)-pent-3-en-2-yl]oxyprop-1-ynyl]silane
SMILESC/C=C/[C@H](C)OCC#C[Si](C)(C)C
InChIInChI=1S/C11H20OSi/c1-6-8-11(2)12-9-7-10-13(3,4)5/h6,8,11H,9H2,1-5H3/b8-6+/t11-/m0/s1
InChIKeyMHEQTIBHLGHTKV-IOCXFXADSA-N
XLogP2.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.37
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(E)-6-trimethylsilylhex-3-en-5-yn-2-yl] acetate
CID 10774833
tri(propan-2-yl)-[3-[(Z,2R)-1-prop-2-enoxyhex-3-en-2-yl]oxyprop-1-ynyl]silane
CID 25224044
3-[(E)-3-cyclopropylprop-2-enoxy]prop-1-ynyl-trimethylsilane
CID 10998254
[(E,2R)-6-trimethylsilylhex-3-en-5-yn-2-yl] acetate
CID 11148513
[(E,2S)-6-trimethylsilylhex-3-en-5-yn-2-yl] acetate
CID 11206603
[(E)-3-ethenoxyhex-4-en-1-ynyl]-trimethylsilane
CID 11229338
[(Z,2R)-hept-3-en-2-yl]oxymethyl-trimethylsilane
CID 134862038
[(E)-4-methoxy-6-trimethylsilylhex-2-en-5-yn-2-yl]oxy-trimethylsilane
CID 134890060
[(4Z,7Z)-9-ethoxynona-4,7-dien-1-ynyl]-trimethylsilane
CID 59977341
2-But-3-en-2-yloxyethyl(trimethyl)silane
CID 88892149
(Z,2S)-2-but-2-ynoxyhex-3-ene
CID 101613951
(Z,2R)-2-but-2-ynoxyhex-3-ene
CID 118517771

Frequently Asked Questions

What is the IUPAC name of trimethyl-[3-[(E,2S)-pent-3-en-2-yl]oxyprop-1-ynyl]silane?
The IUPAC name of trimethyl-[3-[(E,2S)-pent-3-en-2-yl]oxyprop-1-ynyl]silane (CID 101028889) is trimethyl-[3-[(E,2S)-pent-3-en-2-yl]oxyprop-1-ynyl]silane.
What is the SMILES notation for trimethyl-[3-[(E,2S)-pent-3-en-2-yl]oxyprop-1-ynyl]silane?
The canonical SMILES for trimethyl-[3-[(E,2S)-pent-3-en-2-yl]oxyprop-1-ynyl]silane is C/C=C/[C@H](C)OCC#C[Si](C)(C)C.
What is the InChIKey of trimethyl-[3-[(E,2S)-pent-3-en-2-yl]oxyprop-1-ynyl]silane?
The InChIKey is MHEQTIBHLGHTKV-IOCXFXADSA-N. The full InChI is InChI=1S/C11H20OSi/c1-6-8-11(2)12-9-7-10-13(3,4)5/h6,8,11H,9H2,1-5H3/b8-6+/t11-/m0/s1.
What are the key properties of trimethyl-[3-[(E,2S)-pent-3-en-2-yl]oxyprop-1-ynyl]silane?
trimethyl-[3-[(E,2S)-pent-3-en-2-yl]oxyprop-1-ynyl]silane has a molecular weight of 196.37 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[3-[(E,2S)-pent-3-en-2-yl]oxyprop-1-ynyl]silane is sourced from PubChem (CID 101028889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).