triethyl-[(Z)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)pent-1-en-3-yl]oxysilane

C21H40OSi — CID 15440980

IUPACtriethyl-[(Z)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)pent-1-en-3-yl]oxysilane
SMILESCCC(C)(/C=C\C1=C(C)CCCC1(C)C)O[Si](CC)(CC)CC
InChIInChI=1S/C21H40OSi/c1-9-21(8,22-23(10-2,11-3)12-4)17-15-19-18(5)14-13-16-20(19,6)7/h15,17H,9-14,16H2,1-8H3/b17-15-
InChIKeyZKLCVVMRXYPEAL-ICFOKQHNSA-N
MW336.64 g/mol
LogP7.26
Rot. Bonds8

About triethyl-[(Z)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)pent-1-en-3-yl]oxysilane

triethyl-[(Z)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)pent-1-en-3-yl]oxysilane (PubChem CID 15440980) has the molecular formula C21H40OSi and a molecular weight of 336.64 g/mol. Its IUPAC name is triethyl-[(Z)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)pent-1-en-3-yl]oxysilane.

Molecular Properties

Compound Nametriethyl-[(Z)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)pent-1-en-3-yl]oxysilane
PubChem CID15440980
Molecular FormulaC21H40OSi
Molecular Weight336.64 g/mol
Exact Mass336.28
IUPAC Nametriethyl-[(Z)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)pent-1-en-3-yl]oxysilane
SMILESCCC(C)(/C=C\C1=C(C)CCCC1(C)C)O[Si](CC)(CC)CC
InChIInChI=1S/C21H40OSi/c1-9-21(8,22-23(10-2,11-3)12-4)17-15-19-18(5)14-13-16-20(19,6)7/h15,17H,9-14,16H2,1-8H3/b17-15-
InChIKeyZKLCVVMRXYPEAL-ICFOKQHNSA-N
XLogP7.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.64
LogP ≤ 57.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze triethyl-[(Z)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)pent-1-en-3-yl]oxysilane with MolForge

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Related Compounds

Retin, 15-[(trimethylsilyl)oxy]-, (11-cis,13-cis)-
CID 165362841
(3E)-4-(2,6,6-trimethylcyclohexen-1-yl)-2-tri(propan-2-yl)silylbuta-1,3-dien-1-one
CID 10617605
tert-butyl-[(2E,4Z,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoxy]-dimethylsilane
CID 10905468
(2,4-Dimethyl-4-pent-4-enylcyclohexa-1,5-dien-1-yl)oxy-tri(propan-2-yl)silane
CID 11198863
trimethyl-[(3E)-4-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dien-2-yl]oxysilane
CID 12723061
(2,4-Dimethyl-4-pentylcyclohexa-1,5-dien-1-yl)oxy-tri(propan-2-yl)silane
CID 101352758
trimethyl-[(E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl]oxysilane
CID 134858958
tert-butyl-[1-[(3S,6R)-6-ethenyl-6-methyl-3-prop-1-en-2-ylcyclohexen-1-yl]ethenoxy]-dimethylsilane
CID 138964348
trimethyl-[(E)-4,4,5,5,5-pentafluoro-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)pent-1-en-3-yl]oxysilane
CID 9977330
trimethyl-[(E)-1,1,1-trifluoro-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl]oxysilane
CID 10042537
[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoxy]-trimethylsilane
CID 5366575
tert-butyl-[(2E,7E)-4-tert-butyl-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,5,7-tetraenoxy]-dimethylsilane
CID 10884955

Frequently Asked Questions

What is the IUPAC name of triethyl-[(Z)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)pent-1-en-3-yl]oxysilane?
The IUPAC name of triethyl-[(Z)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)pent-1-en-3-yl]oxysilane (CID 15440980) is triethyl-[(Z)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)pent-1-en-3-yl]oxysilane.
What is the SMILES notation for triethyl-[(Z)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)pent-1-en-3-yl]oxysilane?
The canonical SMILES for triethyl-[(Z)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)pent-1-en-3-yl]oxysilane is CCC(C)(/C=C\C1=C(C)CCCC1(C)C)O[Si](CC)(CC)CC.
What is the InChIKey of triethyl-[(Z)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)pent-1-en-3-yl]oxysilane?
The InChIKey is ZKLCVVMRXYPEAL-ICFOKQHNSA-N. The full InChI is InChI=1S/C21H40OSi/c1-9-21(8,22-23(10-2,11-3)12-4)17-15-19-18(5)14-13-16-20(19,6)7/h15,17H,9-14,16H2,1-8H3/b17-15-.
What are the key properties of triethyl-[(Z)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)pent-1-en-3-yl]oxysilane?
triethyl-[(Z)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)pent-1-en-3-yl]oxysilane has a molecular weight of 336.64 g/mol, XLogP of 7.26, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[(Z)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)pent-1-en-3-yl]oxysilane is sourced from PubChem (CID 15440980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).