trimethyl-[(E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl]oxysilane

C17H32OSi — CID 134858958

IUPACtrimethyl-[(E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl]oxysilane
SMILESCC1=C(/C=C/C(C)(C)O[Si](C)(C)C)C(C)(C)CCC1
InChIInChI=1S/C17H32OSi/c1-14-10-9-12-16(2,3)15(14)11-13-17(4,5)18-19(6,7)8/h11,13H,9-10,12H2,1-8H3/b13-11+
InChIKeyPDHVAXDIWXSWGI-ACCUITESSA-N
MW280.53 g/mol
LogP5.70
Rot. Bonds4

About trimethyl-[(E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl]oxysilane

trimethyl-[(E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl]oxysilane (PubChem CID 134858958) has the molecular formula C17H32OSi and a molecular weight of 280.53 g/mol. Its IUPAC name is trimethyl-[(E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl]oxysilane.

Molecular Properties

Compound Nametrimethyl-[(E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl]oxysilane
PubChem CID134858958
Molecular FormulaC17H32OSi
Molecular Weight280.53 g/mol
Exact Mass280.22
IUPAC Nametrimethyl-[(E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl]oxysilane
SMILESCC1=C(/C=C/C(C)(C)O[Si](C)(C)C)C(C)(C)CCC1
InChIInChI=1S/C17H32OSi/c1-14-10-9-12-16(2,3)15(14)11-13-17(4,5)18-19(6,7)8/h11,13H,9-10,12H2,1-8H3/b13-11+
InChIKeyPDHVAXDIWXSWGI-ACCUITESSA-N
XLogP5.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.53
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze trimethyl-[(E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-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
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
tert-butyl-dimethyl-[(2E,4Z,6E)-3-methyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6-trienoxy]silane
CID 21729900

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl]oxysilane?
The IUPAC name of trimethyl-[(E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl]oxysilane (CID 134858958) is trimethyl-[(E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl]oxysilane.
What is the SMILES notation for trimethyl-[(E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl]oxysilane?
The canonical SMILES for trimethyl-[(E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl]oxysilane is CC1=C(/C=C/C(C)(C)O[Si](C)(C)C)C(C)(C)CCC1.
What is the InChIKey of trimethyl-[(E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl]oxysilane?
The InChIKey is PDHVAXDIWXSWGI-ACCUITESSA-N. The full InChI is InChI=1S/C17H32OSi/c1-14-10-9-12-16(2,3)15(14)11-13-17(4,5)18-19(6,7)8/h11,13H,9-10,12H2,1-8H3/b13-11+.
What are the key properties of trimethyl-[(E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl]oxysilane?
trimethyl-[(E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl]oxysilane has a molecular weight of 280.53 g/mol, XLogP of 5.70, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl]oxysilane is sourced from PubChem (CID 134858958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).