trimethyl-[(3E)-4-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dien-2-yl]oxysilane

C16H28OSi — CID 12723061

IUPACtrimethyl-[(3E)-4-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dien-2-yl]oxysilane
SMILESC=C(/C=C/C1=C(C)CCCC1(C)C)O[Si](C)(C)C
InChIInChI=1S/C16H28OSi/c1-13-9-8-12-16(3,4)15(13)11-10-14(2)17-18(5,6)7/h10-11H,2,8-9,12H2,1,3-7H3/b11-10+
InChIKeyVYFVDHPYMAVRMH-ZHACJKMWSA-N
MW264.49 g/mol
LogP5.43
Rot. Bonds4

About trimethyl-[(3E)-4-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dien-2-yl]oxysilane

trimethyl-[(3E)-4-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dien-2-yl]oxysilane (PubChem CID 12723061) has the molecular formula C16H28OSi and a molecular weight of 264.49 g/mol. Its IUPAC name is trimethyl-[(3E)-4-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dien-2-yl]oxysilane.

Molecular Properties

Compound Nametrimethyl-[(3E)-4-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dien-2-yl]oxysilane
PubChem CID12723061
Molecular FormulaC16H28OSi
Molecular Weight264.49 g/mol
Exact Mass264.19
IUPAC Nametrimethyl-[(3E)-4-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dien-2-yl]oxysilane
SMILESC=C(/C=C/C1=C(C)CCCC1(C)C)O[Si](C)(C)C
InChIInChI=1S/C16H28OSi/c1-13-9-8-12-16(3,4)15(13)11-10-14(2)17-18(5,6)7/h10-11H,2,8-9,12H2,1,3-7H3/b11-10+
InChIKeyVYFVDHPYMAVRMH-ZHACJKMWSA-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': 'polyene', 'substructure': 'N/A'}

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Related Compounds

Retin, 15-[(trimethylsilyl)oxy]-, (11-cis,13-cis)-
CID 165362841
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
(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
trimethyl-[(1E)-1-(2,6,6-trimethylcyclohex-2-en-1-ylidene)but-3-enoxy]silane
CID 10923426
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-[(3E)-4-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dien-2-yl]oxysilane?
The IUPAC name of trimethyl-[(3E)-4-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dien-2-yl]oxysilane (CID 12723061) is trimethyl-[(3E)-4-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dien-2-yl]oxysilane.
What is the SMILES notation for trimethyl-[(3E)-4-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dien-2-yl]oxysilane?
The canonical SMILES for trimethyl-[(3E)-4-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dien-2-yl]oxysilane is C=C(/C=C/C1=C(C)CCCC1(C)C)O[Si](C)(C)C.
What is the InChIKey of trimethyl-[(3E)-4-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dien-2-yl]oxysilane?
The InChIKey is VYFVDHPYMAVRMH-ZHACJKMWSA-N. The full InChI is InChI=1S/C16H28OSi/c1-13-9-8-12-16(3,4)15(13)11-10-14(2)17-18(5,6)7/h10-11H,2,8-9,12H2,1,3-7H3/b11-10+.
What are the key properties of trimethyl-[(3E)-4-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dien-2-yl]oxysilane?
trimethyl-[(3E)-4-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dien-2-yl]oxysilane 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-[(3E)-4-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dien-2-yl]oxysilane is sourced from PubChem (CID 12723061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).