trimethyl(penta-3,4-dien-1-ynyl)silane

C8H12Si — CID 12670017

IUPACtrimethyl(penta-3,4-dien-1-ynyl)silane
SMILESC=C=CC#C[Si](C)(C)C
InChIInChI=1S/C8H12Si/c1-5-6-7-8-9(2,3)4/h6H,1H2,2-4H3
InChIKeyNPELWAARDPZEKP-UHFFFAOYSA-N
MW136.27 g/mol
LogP2.21
Rot. Bonds

About trimethyl(penta-3,4-dien-1-ynyl)silane

trimethyl(penta-3,4-dien-1-ynyl)silane (PubChem CID 12670017) has the molecular formula C8H12Si and a molecular weight of 136.27 g/mol. Its IUPAC name is trimethyl(penta-3,4-dien-1-ynyl)silane.

Molecular Properties

Compound Nametrimethyl(penta-3,4-dien-1-ynyl)silane
PubChem CID12670017
Molecular FormulaC8H12Si
Molecular Weight136.27 g/mol
Exact Mass136.07
IUPAC Nametrimethyl(penta-3,4-dien-1-ynyl)silane
SMILESC=C=CC#C[Si](C)(C)C
InChIInChI=1S/C8H12Si/c1-5-6-7-8-9(2,3)4/h6H,1H2,2-4H3
InChIKeyNPELWAARDPZEKP-UHFFFAOYSA-N
XLogP2.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.27
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Trimethyl(penta-2,3-dien-2-yl)silane
CID 11105454
Allyldimethyl(prop-1-ynyl)silane
CID 566148
(But-3-en-1-yn-1-yl)trimethylsilane
CID 572885
4-Triethylsilylbut-1-en-3-yne
CID 573021
trimethyl[(1E)-4-(trimethylsilyl)but-1-en-3-yn-1-yl]silane
CID 11063365
Buta-1,2-dienyl(trimethyl)silane
CID 13327149
1,3-Di(trimethylsilyl)but-3-en-1-yne
CID 10867265
[(1E)-but-1-en-3-yn-1-yl]trimethylsilane
CID 11182608
Hexa-3,4-dien-1-ynyl(trimethyl)silane
CID 12670020
Trimethyl(5-methylhexa-3,4-dien-1-yn-1-yl)silane
CID 12670024
1-Tri-methylsilyl-3-penten-1-yne
CID 579647
Silane, trimethyl(1-methylene-2-propynyl)-
CID 11073417

Frequently Asked Questions

What is the IUPAC name of trimethyl(penta-3,4-dien-1-ynyl)silane?
The IUPAC name of trimethyl(penta-3,4-dien-1-ynyl)silane (CID 12670017) is trimethyl(penta-3,4-dien-1-ynyl)silane.
What is the SMILES notation for trimethyl(penta-3,4-dien-1-ynyl)silane?
The canonical SMILES for trimethyl(penta-3,4-dien-1-ynyl)silane is C=C=CC#C[Si](C)(C)C.
What is the InChIKey of trimethyl(penta-3,4-dien-1-ynyl)silane?
The InChIKey is NPELWAARDPZEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12Si/c1-5-6-7-8-9(2,3)4/h6H,1H2,2-4H3.
What are the key properties of trimethyl(penta-3,4-dien-1-ynyl)silane?
trimethyl(penta-3,4-dien-1-ynyl)silane has a molecular weight of 136.27 g/mol, XLogP of 2.21, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(penta-3,4-dien-1-ynyl)silane is sourced from PubChem (CID 12670017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).