tert-butyl-[(4-hexyl-1,5-dimethylcyclohexa-2,4-dien-1-yl)methoxy]-dimethylsilane

C21H40OSi — CID 101400085

IUPACtert-butyl-[(4-hexyl-1,5-dimethylcyclohexa-2,4-dien-1-yl)methoxy]-dimethylsilane
SMILESCCCCCCC1=C(C)CC(C)(CO[Si](C)(C)C(C)(C)C)C=C1
InChIInChI=1S/C21H40OSi/c1-9-10-11-12-13-19-14-15-21(6,16-18(19)2)17-22-23(7,8)20(3,4)5/h14-15H,9-13,16-17H2,1-8H3
InChIKeyNPZBVFQMXZQXMZ-UHFFFAOYSA-N
MW336.64 g/mol
LogP7.26
Rot. Bonds8

About tert-butyl-[(4-hexyl-1,5-dimethylcyclohexa-2,4-dien-1-yl)methoxy]-dimethylsilane

tert-butyl-[(4-hexyl-1,5-dimethylcyclohexa-2,4-dien-1-yl)methoxy]-dimethylsilane (PubChem CID 101400085) has the molecular formula C21H40OSi and a molecular weight of 336.64 g/mol. Its IUPAC name is tert-butyl-[(4-hexyl-1,5-dimethylcyclohexa-2,4-dien-1-yl)methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(4-hexyl-1,5-dimethylcyclohexa-2,4-dien-1-yl)methoxy]-dimethylsilane
PubChem CID101400085
Molecular FormulaC21H40OSi
Molecular Weight336.64 g/mol
Exact Mass336.28
IUPAC Nametert-butyl-[(4-hexyl-1,5-dimethylcyclohexa-2,4-dien-1-yl)methoxy]-dimethylsilane
SMILESCCCCCCC1=C(C)CC(C)(CO[Si](C)(C)C(C)(C)C)C=C1
InChIInChI=1S/C21H40OSi/c1-9-10-11-12-13-19-14-15-21(6,16-18(19)2)17-22-23(7,8)20(3,4)5/h14-15H,9-13,16-17H2,1-8H3
InChIKeyNPZBVFQMXZQXMZ-UHFFFAOYSA-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', '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
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
Tert-butyl-[(1,5-dimethylcyclohexa-2,4-dien-1-yl)methoxy]-dimethylsilane
CID 101400087
Silane, (1,1-dimethylethyl)dimethyl[[2-methyl-3-(2,6,6-trimethyl-2-cyclohexen-1-ylidene)-1-propenyl]oxy]-
CID 5366892
[(1R)-4-[(E)-but-1-en-3-ynyl]-3,5,5-trimethylcyclohex-3-en-1-yl]oxy-tert-butyl-dimethylsilane
CID 10935620
tert-butyl-dimethyl-[(2E,4Z,6E)-3-methyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6-trienoxy]silane
CID 21729900
tert-butyl-[(2S)-2-ethenyl-2,6-dimethylhept-5-enoxy]-dimethylsilane
CID 24823998
3,3-Di(cyclopenta-1,3-dien-1-yl)pentoxy-triethylsilane
CID 18622818
(4-Ethenyl-3,5,5-trimethylcyclohex-3-en-1-yl)oxy-trimethylsilane
CID 23035888
[(1R)-4-ethenyl-3,5,5-trimethylcyclohex-3-en-1-yl]oxy-trimethylsilane
CID 53732832
[(3R,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-4,6,8-trienoxy]-tri(propan-2-yl)silane
CID 140966234
[(3R,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-4,6,8-trienoxy]-tri(propan-2-yl)silane
CID 173789566

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(4-hexyl-1,5-dimethylcyclohexa-2,4-dien-1-yl)methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(4-hexyl-1,5-dimethylcyclohexa-2,4-dien-1-yl)methoxy]-dimethylsilane (CID 101400085) is tert-butyl-[(4-hexyl-1,5-dimethylcyclohexa-2,4-dien-1-yl)methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(4-hexyl-1,5-dimethylcyclohexa-2,4-dien-1-yl)methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(4-hexyl-1,5-dimethylcyclohexa-2,4-dien-1-yl)methoxy]-dimethylsilane is CCCCCCC1=C(C)CC(C)(CO[Si](C)(C)C(C)(C)C)C=C1.
What is the InChIKey of tert-butyl-[(4-hexyl-1,5-dimethylcyclohexa-2,4-dien-1-yl)methoxy]-dimethylsilane?
The InChIKey is NPZBVFQMXZQXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40OSi/c1-9-10-11-12-13-19-14-15-21(6,16-18(19)2)17-22-23(7,8)20(3,4)5/h14-15H,9-13,16-17H2,1-8H3.
What are the key properties of tert-butyl-[(4-hexyl-1,5-dimethylcyclohexa-2,4-dien-1-yl)methoxy]-dimethylsilane?
tert-butyl-[(4-hexyl-1,5-dimethylcyclohexa-2,4-dien-1-yl)methoxy]-dimethylsilane 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 tert-butyl-[(4-hexyl-1,5-dimethylcyclohexa-2,4-dien-1-yl)methoxy]-dimethylsilane is sourced from PubChem (CID 101400085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).