2-(cyclohexen-1-yl)ethynyl-triethylsilane;1-ethynylcyclohexene

C22H34Si — CID 163611138

IUPAC2-(cyclohexen-1-yl)ethynyl-triethylsilane;1-ethynylcyclohexene
SMILESC#CC1=CCCCC1.CC[Si](C#CC1=CCCCC1)(CC)CC
InChIInChI=1S/C14H24Si.C8H10/c1-4-15(5-2,6-3)13-12-14-10-8-7-9-11-14;1-2-8-6-4-3-5-7-8/h10H,4-9,11H2,1-3H3;1,6H,3-5,7H2
InChIKeyHFZZVUHWKFRKMY-UHFFFAOYSA-N
MW326.60 g/mol
LogP6.66
Rot. Bonds3

About 2-(cyclohexen-1-yl)ethynyl-triethylsilane;1-ethynylcyclohexene

2-(cyclohexen-1-yl)ethynyl-triethylsilane;1-ethynylcyclohexene (PubChem CID 163611138) has the molecular formula C22H34Si and a molecular weight of 326.60 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)ethynyl-triethylsilane;1-ethynylcyclohexene.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)ethynyl-triethylsilane;1-ethynylcyclohexene
PubChem CID163611138
Molecular FormulaC22H34Si
Molecular Weight326.60 g/mol
Exact Mass326.24
IUPAC Name2-(cyclohexen-1-yl)ethynyl-triethylsilane;1-ethynylcyclohexene
SMILESC#CC1=CCCCC1.CC[Si](C#CC1=CCCCC1)(CC)CC
InChIInChI=1S/C14H24Si.C8H10/c1-4-15(5-2,6-3)13-12-14-10-8-7-9-11-14;1-2-8-6-4-3-5-7-8/h10H,4-9,11H2,1-3H3;1,6H,3-5,7H2
InChIKeyHFZZVUHWKFRKMY-UHFFFAOYSA-N
XLogP6.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.60
LogP ≤ 56.66
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
2-(Cyclohexen-1-yl)ethynyl-triethyl-silane
CID 134948291
2-(Cyclohexen-1-yl)ethynyl-tri(propan-2-yl)silane
CID 101856172
[(5E)-6,10-dimethylundeca-5,9-dien-1-ynyl]-trimethylsilane
CID 12489209
trimethyl-[(5E,9E,13E,17E)-6,10,14,18,22-pentamethyltricosa-5,9,13,17,21-pentaen-1-ynyl]silane
CID 11015863
trimethyl-[(5E,9E,13E,17E,21E,25E,29E,33E)-6,10,14,18,22,26,30,34,38-nonamethylnonatriaconta-5,9,13,17,21,25,29,33,37-nonaen-1-ynyl]silane
CID 11216306
[(E)-4-ethyloct-3-en-1-ynyl]-trimethylsilane
CID 12607737
[(E)-hexadec-7-en-10-yn-7-yl]-trimethylsilane
CID 13168378
Trimethyl-[3-(2-trimethylsilylethynyl)tridec-3-en-1-ynyl]silane
CID 85843910
tri(propan-2-yl)-[(3Z,5E)-3,4,5-triethylocta-3,5-dien-1-ynyl]silane
CID 102296161
tri(propan-2-yl)-[(3Z,5E)-3,4,5-tripropylnona-3,5-dien-1-ynyl]silane
CID 134941907
trimethyl-[(E)-6-methyldec-5-en-1-ynyl]silane
CID 134992515

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)ethynyl-triethylsilane;1-ethynylcyclohexene?
The IUPAC name of 2-(cyclohexen-1-yl)ethynyl-triethylsilane;1-ethynylcyclohexene (CID 163611138) is 2-(cyclohexen-1-yl)ethynyl-triethylsilane;1-ethynylcyclohexene.
What is the SMILES notation for 2-(cyclohexen-1-yl)ethynyl-triethylsilane;1-ethynylcyclohexene?
The canonical SMILES for 2-(cyclohexen-1-yl)ethynyl-triethylsilane;1-ethynylcyclohexene is C#CC1=CCCCC1.CC[Si](C#CC1=CCCCC1)(CC)CC.
What is the InChIKey of 2-(cyclohexen-1-yl)ethynyl-triethylsilane;1-ethynylcyclohexene?
The InChIKey is HFZZVUHWKFRKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24Si.C8H10/c1-4-15(5-2,6-3)13-12-14-10-8-7-9-11-14;1-2-8-6-4-3-5-7-8/h10H,4-9,11H2,1-3H3;1,6H,3-5,7H2.
What are the key properties of 2-(cyclohexen-1-yl)ethynyl-triethylsilane;1-ethynylcyclohexene?
2-(cyclohexen-1-yl)ethynyl-triethylsilane;1-ethynylcyclohexene has a molecular weight of 326.60 g/mol, XLogP of 6.66, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)ethynyl-triethylsilane;1-ethynylcyclohexene is sourced from PubChem (CID 163611138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).