tert-butyl-dimethyl-[(1E,3E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)buta-1,3-dienoxy]silane

C19H34OSi — CID 5366890

IUPACtert-butyl-dimethyl-[(1E,3E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)buta-1,3-dienoxy]silane
SMILESCC1=CCCC(C)(C)C1/C=C/C=C/O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H34OSi/c1-16-12-11-14-19(5,6)17(16)13-9-10-15-20-21(7,8)18(2,3)4/h9-10,12-13,15,17H,11,14H2,1-8H3/b13-9+,15-10+
InChIKeyHHQIYQODLXVJPD-XHWVFBAXSA-N
MW306.57 g/mol
LogP6.46
Rot. Bonds4

About tert-butyl-dimethyl-[(1E,3E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)buta-1,3-dienoxy]silane

tert-butyl-dimethyl-[(1E,3E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)buta-1,3-dienoxy]silane (PubChem CID 5366890) has the molecular formula C19H34OSi and a molecular weight of 306.57 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(1E,3E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)buta-1,3-dienoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(1E,3E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)buta-1,3-dienoxy]silane
PubChem CID5366890
Molecular FormulaC19H34OSi
Molecular Weight306.57 g/mol
Exact Mass306.24
IUPAC Nametert-butyl-dimethyl-[(1E,3E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)buta-1,3-dienoxy]silane
SMILESCC1=CCCC(C)(C)C1/C=C/C=C/O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H34OSi/c1-16-12-11-14-19(5,6)17(16)13-9-10-15-20-21(7,8)18(2,3)4/h9-10,12-13,15,17H,11,14H2,1-8H3/b13-9+,15-10+
InChIKeyHHQIYQODLXVJPD-XHWVFBAXSA-N
XLogP6.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.57
LogP ≤ 56.46
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

Retin, 15-[(trimethylsilyl)oxy]-, (11-cis,13-cis)-
CID 165362841
Silane, [[3,7-dimethyl-9-(2,6,6-trimethyl-2-cyclohexen-1-ylidene)-3,5,7-nonatrienyl]oxy]trimethyl-
CID 5366798
(3E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)-2-tri(propan-2-yl)silylbuta-1,3-dien-1-one
CID 10497808
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
tert-butyl-[[(1R)-3-ethenylcyclohex-3-en-1-yl]methoxy]-dimethylsilane
CID 16220312
triethyl-[(1Z,4E)-4-ethyl-3-propylhepta-1,4-dienoxy]silane
CID 135002116
tert-butyl-[(E,2S,5S)-5-cyclohepta-2,4,6-trien-1-yl-2,5-dimethylhept-3-enoxy]-dimethylsilane
CID 154712103
[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoxy]-trimethylsilane
CID 5366575
Silane, (1,1-dimethylethyl)dimethyl[[2-methyl-3-(2,6,6-trimethyl-2-cyclohexen-1-ylidene)-1-propenyl]oxy]-
CID 5366892
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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(1E,3E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)buta-1,3-dienoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(1E,3E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)buta-1,3-dienoxy]silane (CID 5366890) is tert-butyl-dimethyl-[(1E,3E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)buta-1,3-dienoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(1E,3E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)buta-1,3-dienoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(1E,3E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)buta-1,3-dienoxy]silane is CC1=CCCC(C)(C)C1/C=C/C=C/O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(1E,3E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)buta-1,3-dienoxy]silane?
The InChIKey is HHQIYQODLXVJPD-XHWVFBAXSA-N. The full InChI is InChI=1S/C19H34OSi/c1-16-12-11-14-19(5,6)17(16)13-9-10-15-20-21(7,8)18(2,3)4/h9-10,12-13,15,17H,11,14H2,1-8H3/b13-9+,15-10+.
What are the key properties of tert-butyl-dimethyl-[(1E,3E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)buta-1,3-dienoxy]silane?
tert-butyl-dimethyl-[(1E,3E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)buta-1,3-dienoxy]silane has a molecular weight of 306.57 g/mol, XLogP of 6.46, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(1E,3E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)buta-1,3-dienoxy]silane is sourced from PubChem (CID 5366890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).