trimethyl-[(1E)-1-(2,6,6-trimethylcyclohex-2-en-1-ylidene)but-3-enoxy]silane

C16H28OSi — CID 10923426

IUPACtrimethyl-[(1E)-1-(2,6,6-trimethylcyclohex-2-en-1-ylidene)but-3-enoxy]silane
SMILESC=CC/C(O[Si](C)(C)C)=C1\C(C)=CCCC1(C)C
InChIInChI=1S/C16H28OSi/c1-8-10-14(17-18(5,6)7)15-13(2)11-9-12-16(15,3)4/h8,11H,1,9-10,12H2,2-7H3/b15-14-
InChIKeyPZAVSTIEXAKHQB-PFONDFGASA-N
MW264.49 g/mol
LogP5.43
Rot. Bonds4

About trimethyl-[(1E)-1-(2,6,6-trimethylcyclohex-2-en-1-ylidene)but-3-enoxy]silane

trimethyl-[(1E)-1-(2,6,6-trimethylcyclohex-2-en-1-ylidene)but-3-enoxy]silane (PubChem CID 10923426) has the molecular formula C16H28OSi and a molecular weight of 264.49 g/mol. Its IUPAC name is trimethyl-[(1E)-1-(2,6,6-trimethylcyclohex-2-en-1-ylidene)but-3-enoxy]silane.

Molecular Properties

Compound Nametrimethyl-[(1E)-1-(2,6,6-trimethylcyclohex-2-en-1-ylidene)but-3-enoxy]silane
PubChem CID10923426
Molecular FormulaC16H28OSi
Molecular Weight264.49 g/mol
Exact Mass264.19
IUPAC Nametrimethyl-[(1E)-1-(2,6,6-trimethylcyclohex-2-en-1-ylidene)but-3-enoxy]silane
SMILESC=CC/C(O[Si](C)(C)C)=C1\C(C)=CCCC1(C)C
InChIInChI=1S/C16H28OSi/c1-8-10-14(17-18(5,6)7)15-13(2)11-9-12-16(15,3)4/h8,11H,1,9-10,12H2,2-7H3/b15-14-
InChIKeyPZAVSTIEXAKHQB-PFONDFGASA-N
XLogP5.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.49
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Silane, [[3,7-dimethyl-9-(2,6,6-trimethyl-2-cyclohexen-1-ylidene)-3,5,7-nonatrienyl]oxy]trimethyl-
CID 5366798
(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
lithium (1E)-1-(2,6,6-trimethylcyclohex-2-en-1-ylidene)but-3-en-1-olate
CID 23686260
(2,4-Dimethyl-4-pentylcyclohexa-1,5-dien-1-yl)oxy-tri(propan-2-yl)silane
CID 101352758
t-Butyl-dimethyl-[4-(2,6,6-trimethyl-cyclohex-2-enyl)-buta-1,3-dienyloxy]-silane
CID 5366890
Silane, (1,1-dimethylethyl)dimethyl[[2-methyl-3-(2,6,6-trimethyl-2-cyclohexen-1-ylidene)-1-propenyl]oxy]-
CID 5366892
Tert-butyl-(3-ethenyl-1-methylcyclohex-3-en-1-yl)oxy-dimethylsilane
CID 101021222
Trimethyl-(4-methyl-4-propylcyclohexa-1,5-dien-1-yl)oxysilane
CID 68173789
[(7aS)-5,7a-dimethyl-6,7-dihydroinden-1-yl]oxy-trimethylsilane
CID 71274034
[(7aS)-5,7a-dimethyl-6,7-dihydroinden-1-yl]oxy-tert-butyl-dimethylsilane
CID 71274039
(E)-(1-(2,2,3,4,5,5-hexamethyl-6-methylenecyclohex-3-enylidene)allyloxy)trimethylsilane
CID 86719927

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(1E)-1-(2,6,6-trimethylcyclohex-2-en-1-ylidene)but-3-enoxy]silane?
The IUPAC name of trimethyl-[(1E)-1-(2,6,6-trimethylcyclohex-2-en-1-ylidene)but-3-enoxy]silane (CID 10923426) is trimethyl-[(1E)-1-(2,6,6-trimethylcyclohex-2-en-1-ylidene)but-3-enoxy]silane.
What is the SMILES notation for trimethyl-[(1E)-1-(2,6,6-trimethylcyclohex-2-en-1-ylidene)but-3-enoxy]silane?
The canonical SMILES for trimethyl-[(1E)-1-(2,6,6-trimethylcyclohex-2-en-1-ylidene)but-3-enoxy]silane is C=CC/C(O[Si](C)(C)C)=C1\C(C)=CCCC1(C)C.
What is the InChIKey of trimethyl-[(1E)-1-(2,6,6-trimethylcyclohex-2-en-1-ylidene)but-3-enoxy]silane?
The InChIKey is PZAVSTIEXAKHQB-PFONDFGASA-N. The full InChI is InChI=1S/C16H28OSi/c1-8-10-14(17-18(5,6)7)15-13(2)11-9-12-16(15,3)4/h8,11H,1,9-10,12H2,2-7H3/b15-14-.
What are the key properties of trimethyl-[(1E)-1-(2,6,6-trimethylcyclohex-2-en-1-ylidene)but-3-enoxy]silane?
trimethyl-[(1E)-1-(2,6,6-trimethylcyclohex-2-en-1-ylidene)but-3-enoxy]silane has a molecular weight of 264.49 g/mol, XLogP of 5.43, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(1E)-1-(2,6,6-trimethylcyclohex-2-en-1-ylidene)but-3-enoxy]silane is sourced from PubChem (CID 10923426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).