[(E)-4-(cyclohexen-1-yl)but-1-en-3-ynyl]-trimethylsilane

C13H20Si — CID 14434940

IUPAC[(E)-4-(cyclohexen-1-yl)but-1-en-3-ynyl]-trimethylsilane
SMILESC[Si](C)(C)/C=C/C#CC1=CCCCC1
InChIInChI=1S/C13H20Si/c1-14(2,3)12-8-7-11-13-9-5-4-6-10-13/h8-9,12H,4-6,10H2,1-3H3/b12-8+
InChIKeyYFKDNMRFBVKLPW-XYOKQWHBSA-N
MW204.39 g/mol
LogP3.92
Rot. Bonds1

About [(E)-4-(cyclohexen-1-yl)but-1-en-3-ynyl]-trimethylsilane

[(E)-4-(cyclohexen-1-yl)but-1-en-3-ynyl]-trimethylsilane (PubChem CID 14434940) has the molecular formula C13H20Si and a molecular weight of 204.39 g/mol. Its IUPAC name is [(E)-4-(cyclohexen-1-yl)but-1-en-3-ynyl]-trimethylsilane.

Molecular Properties

Compound Name[(E)-4-(cyclohexen-1-yl)but-1-en-3-ynyl]-trimethylsilane
PubChem CID14434940
Molecular FormulaC13H20Si
Molecular Weight204.39 g/mol
Exact Mass204.13
IUPAC Name[(E)-4-(cyclohexen-1-yl)but-1-en-3-ynyl]-trimethylsilane
SMILESC[Si](C)(C)/C=C/C#CC1=CCCCC1
InChIInChI=1S/C13H20Si/c1-14(2,3)12-8-7-11-13-9-5-4-6-10-13/h8-9,12H,4-6,10H2,1-3H3/b12-8+
InChIKeyYFKDNMRFBVKLPW-XYOKQWHBSA-N
XLogP3.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.39
LogP ≤ 53.92
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

(1-Cyclohexen-1-ylethynyl)trimethylsilane
CID 11816203
1-[2-(Trimethylsilyl)ethynyl]cyclopentene
CID 12778987
Silane, (1-cyclohexen-1-ylmethyl)trimethyl-
CID 10964921
2-(Cyclohexen-1-yl)ethynyl-triethyl-silane
CID 134948291
[5-(Cyclohexen-1-yl)-3,3-difluoropenta-1,4-diynyl]-tri(propan-2-yl)silane
CID 177849926
[(4E)-5,9-dimethyldeca-4,8-dien-1-ynyl]-trimethylsilane
CID 10354026
[(E)-2-(cyclohexen-1-yl)ethenyl]-trimethylsilane
CID 14175461
2-(Cyclohexen-1-yl)ethynyl-tri(propan-2-yl)silane
CID 101856172
[(5E)-6,10-dimethylundeca-5,9-dien-1-ynyl]-trimethylsilane
CID 12489209
2-(Cyclohexen-1-yl)ethyl-trimethylsilane
CID 18764452
[(E)-dec-3-en-1,9-diynyl]-trimethylsilane
CID 135032096
(3-Trimethylsilanyl-prop-2-ynylidene)-cyclohexane
CID 12750871

Frequently Asked Questions

What is the IUPAC name of [(E)-4-(cyclohexen-1-yl)but-1-en-3-ynyl]-trimethylsilane?
The IUPAC name of [(E)-4-(cyclohexen-1-yl)but-1-en-3-ynyl]-trimethylsilane (CID 14434940) is [(E)-4-(cyclohexen-1-yl)but-1-en-3-ynyl]-trimethylsilane.
What is the SMILES notation for [(E)-4-(cyclohexen-1-yl)but-1-en-3-ynyl]-trimethylsilane?
The canonical SMILES for [(E)-4-(cyclohexen-1-yl)but-1-en-3-ynyl]-trimethylsilane is C[Si](C)(C)/C=C/C#CC1=CCCCC1.
What is the InChIKey of [(E)-4-(cyclohexen-1-yl)but-1-en-3-ynyl]-trimethylsilane?
The InChIKey is YFKDNMRFBVKLPW-XYOKQWHBSA-N. The full InChI is InChI=1S/C13H20Si/c1-14(2,3)12-8-7-11-13-9-5-4-6-10-13/h8-9,12H,4-6,10H2,1-3H3/b12-8+.
What are the key properties of [(E)-4-(cyclohexen-1-yl)but-1-en-3-ynyl]-trimethylsilane?
[(E)-4-(cyclohexen-1-yl)but-1-en-3-ynyl]-trimethylsilane has a molecular weight of 204.39 g/mol, XLogP of 3.92, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-4-(cyclohexen-1-yl)but-1-en-3-ynyl]-trimethylsilane is sourced from PubChem (CID 14434940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).