triethyl-[(1Z)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)penta-1,4-dien-3-yl]oxysilane

C21H38OSi — CID 15440982

IUPACtriethyl-[(1Z)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)penta-1,4-dien-3-yl]oxysilane
SMILESC=CC(C)(/C=C\C1=C(C)CCCC1(C)C)O[Si](CC)(CC)CC
InChIInChI=1S/C21H38OSi/c1-9-21(8,22-23(10-2,11-3)12-4)17-15-19-18(5)14-13-16-20(19,6)7/h9,15,17H,1,10-14,16H2,2-8H3/b17-15-
InChIKeyUYQUHMZMBXZKEA-ICFOKQHNSA-N
MW334.62 g/mol
LogP7.04
Rot. Bonds8

About triethyl-[(1Z)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)penta-1,4-dien-3-yl]oxysilane

triethyl-[(1Z)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)penta-1,4-dien-3-yl]oxysilane (PubChem CID 15440982) has the molecular formula C21H38OSi and a molecular weight of 334.62 g/mol. Its IUPAC name is triethyl-[(1Z)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)penta-1,4-dien-3-yl]oxysilane.

Molecular Properties

Compound Nametriethyl-[(1Z)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)penta-1,4-dien-3-yl]oxysilane
PubChem CID15440982
Molecular FormulaC21H38OSi
Molecular Weight334.62 g/mol
Exact Mass334.27
IUPAC Nametriethyl-[(1Z)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)penta-1,4-dien-3-yl]oxysilane
SMILESC=CC(C)(/C=C\C1=C(C)CCCC1(C)C)O[Si](CC)(CC)CC
InChIInChI=1S/C21H38OSi/c1-9-21(8,22-23(10-2,11-3)12-4)17-15-19-18(5)14-13-16-20(19,6)7/h9,15,17H,1,10-14,16H2,2-8H3/b17-15-
InChIKeyUYQUHMZMBXZKEA-ICFOKQHNSA-N
XLogP7.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.62
LogP ≤ 57.04
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'}

Analyze triethyl-[(1Z)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)penta-1,4-dien-3-yl]oxysilane with MolForge

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Related Compounds

(1E,3R)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)penta-1,4-dien-3-ol
CID 86310428
trimethyl-[(1E)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)hexa-1,5-dien-3-yl]oxysilane
CID 102002934
(Z,3R)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)hex-1-en-5-yn-3-ol
CID 98565733
trimethyl-[(1E,3E)-4-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienyl]silane
CID 11470674
(E,3R)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)pent-1-en-4-yn-3-ol
CID 7312693
(Z)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)pent-1-en-4-yn-3-ol
CID 10632627
1-chloro-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-1,4-dien-3-ol
CID 90964728
3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-en-1-ol
CID 590095
2-[(E)-5,5-dimethoxy-3-methylidenepent-1-enyl]-1,3,3-trimethylcyclohexene
CID 15463222
4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one
CID 77238031
(E)-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enoic acid
CID 5383969
(E)-2-pyridin-4-yl-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ol
CID 162398954

Frequently Asked Questions

What is the IUPAC name of triethyl-[(1Z)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)penta-1,4-dien-3-yl]oxysilane?
The IUPAC name of triethyl-[(1Z)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)penta-1,4-dien-3-yl]oxysilane (CID 15440982) is triethyl-[(1Z)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)penta-1,4-dien-3-yl]oxysilane.
What is the SMILES notation for triethyl-[(1Z)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)penta-1,4-dien-3-yl]oxysilane?
The canonical SMILES for triethyl-[(1Z)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)penta-1,4-dien-3-yl]oxysilane is C=CC(C)(/C=C\C1=C(C)CCCC1(C)C)O[Si](CC)(CC)CC.
What is the InChIKey of triethyl-[(1Z)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)penta-1,4-dien-3-yl]oxysilane?
The InChIKey is UYQUHMZMBXZKEA-ICFOKQHNSA-N. The full InChI is InChI=1S/C21H38OSi/c1-9-21(8,22-23(10-2,11-3)12-4)17-15-19-18(5)14-13-16-20(19,6)7/h9,15,17H,1,10-14,16H2,2-8H3/b17-15-.
What are the key properties of triethyl-[(1Z)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)penta-1,4-dien-3-yl]oxysilane?
triethyl-[(1Z)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)penta-1,4-dien-3-yl]oxysilane has a molecular weight of 334.62 g/mol, XLogP of 7.04, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[(1Z)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)penta-1,4-dien-3-yl]oxysilane is sourced from PubChem (CID 15440982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).