2-(3-ethyl-7-methylcycloocta-1,3,7-trien-1-yl)ethynyl-trimethylsilane

C16H24Si — CID 123776360

IUPAC2-(3-ethyl-7-methylcycloocta-1,3,7-trien-1-yl)ethynyl-trimethylsilane
SMILESCCC1=CCCC(C)=CC(C#C[Si](C)(C)C)=C1
InChIInChI=1S/C16H24Si/c1-6-15-9-7-8-14(2)12-16(13-15)10-11-17(3,4)5/h9,12-13H,6-8H2,1-5H3
InChIKeyJUYQHTXDSDLEFU-UHFFFAOYSA-N
MW244.45 g/mol
LogP4.87
Rot. Bonds1

About 2-(3-ethyl-7-methylcycloocta-1,3,7-trien-1-yl)ethynyl-trimethylsilane

2-(3-ethyl-7-methylcycloocta-1,3,7-trien-1-yl)ethynyl-trimethylsilane (PubChem CID 123776360) has the molecular formula C16H24Si and a molecular weight of 244.45 g/mol. Its IUPAC name is 2-(3-ethyl-7-methylcycloocta-1,3,7-trien-1-yl)ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-(3-ethyl-7-methylcycloocta-1,3,7-trien-1-yl)ethynyl-trimethylsilane
PubChem CID123776360
Molecular FormulaC16H24Si
Molecular Weight244.45 g/mol
Exact Mass244.16
IUPAC Name2-(3-ethyl-7-methylcycloocta-1,3,7-trien-1-yl)ethynyl-trimethylsilane
SMILESCCC1=CCCC(C)=CC(C#C[Si](C)(C)C)=C1
InChIInChI=1S/C16H24Si/c1-6-15-9-7-8-14(2)12-16(13-15)10-11-17(3,4)5/h9,12-13H,6-8H2,1-5H3
InChIKeyJUYQHTXDSDLEFU-UHFFFAOYSA-N
XLogP4.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.45
LogP ≤ 54.87
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

[(4E)-5,9-dimethyldeca-4,8-dien-1-ynyl]-trimethylsilane
CID 10354026
2-(Cyclohexen-1-yl)ethynyl-tri(propan-2-yl)silane
CID 101856172
[(5E)-6,10-dimethylundeca-5,9-dien-1-ynyl]-trimethylsilane
CID 12489209
Silane, trimethyl(6-methyl-5-hepten-1-ynyl)-
CID 550064
Trimethyl-(7-methyl-3-methylideneoct-6-en-1-ynyl)silane
CID 10878326
trimethyl-[(5E,9E,13E,17E)-6,10,14,18,22-pentamethyltricosa-5,9,13,17,21-pentaen-1-ynyl]silane
CID 11015863
trimethyl-[(4Z,6Z)-undeca-4,6-dien-1-ynyl]silane
CID 11206794
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
[(3E,5E,7E)-8-(cyclohexen-1-yl)-6-methylocta-3,5,7-trien-1-ynyl]-trimethylsilane
CID 11425713
[(5Z,9E)-12-iodo-6,10-dimethyldodeca-5,9-dien-1-ynyl]-trimethylsilane
CID 11749556
[(5E,9E)-12-iodo-6,10-dimethyldodeca-5,9-dien-1-ynyl]-trimethylsilane
CID 12052001
trimethyl-[(E)-4-prop-2-enylnon-4-en-1-ynyl]silane
CID 13706760

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-7-methylcycloocta-1,3,7-trien-1-yl)ethynyl-trimethylsilane?
The IUPAC name of 2-(3-ethyl-7-methylcycloocta-1,3,7-trien-1-yl)ethynyl-trimethylsilane (CID 123776360) is 2-(3-ethyl-7-methylcycloocta-1,3,7-trien-1-yl)ethynyl-trimethylsilane.
What is the SMILES notation for 2-(3-ethyl-7-methylcycloocta-1,3,7-trien-1-yl)ethynyl-trimethylsilane?
The canonical SMILES for 2-(3-ethyl-7-methylcycloocta-1,3,7-trien-1-yl)ethynyl-trimethylsilane is CCC1=CCCC(C)=CC(C#C[Si](C)(C)C)=C1.
What is the InChIKey of 2-(3-ethyl-7-methylcycloocta-1,3,7-trien-1-yl)ethynyl-trimethylsilane?
The InChIKey is JUYQHTXDSDLEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24Si/c1-6-15-9-7-8-14(2)12-16(13-15)10-11-17(3,4)5/h9,12-13H,6-8H2,1-5H3.
What are the key properties of 2-(3-ethyl-7-methylcycloocta-1,3,7-trien-1-yl)ethynyl-trimethylsilane?
2-(3-ethyl-7-methylcycloocta-1,3,7-trien-1-yl)ethynyl-trimethylsilane has a molecular weight of 244.45 g/mol, XLogP of 4.87, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-7-methylcycloocta-1,3,7-trien-1-yl)ethynyl-trimethylsilane is sourced from PubChem (CID 123776360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).