[(Z,2S)-4-bromo-4-(cyclohexen-1-yl)but-3-en-2-yl]oxy-tert-butyl-dimethylsilane

C16H29BrOSi — CID 11152147

IUPAC[(Z,2S)-4-bromo-4-(cyclohexen-1-yl)but-3-en-2-yl]oxy-tert-butyl-dimethylsilane
SMILESC[C@@H](/C=C(\Br)C1=CCCCC1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H29BrOSi/c1-13(18-19(5,6)16(2,3)4)12-15(17)14-10-8-7-9-11-14/h10,12-13H,7-9,11H2,1-6H3/b15-12-/t13-/m0/s1
InChIKeyAUZODDHBFYXEGX-FRRXJZEGSA-N
MW345.40 g/mol
LogP6.18
Rot. Bonds4

About [(Z,2S)-4-bromo-4-(cyclohexen-1-yl)but-3-en-2-yl]oxy-tert-butyl-dimethylsilane

[(Z,2S)-4-bromo-4-(cyclohexen-1-yl)but-3-en-2-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 11152147) has the molecular formula C16H29BrOSi and a molecular weight of 345.40 g/mol. Its IUPAC name is [(Z,2S)-4-bromo-4-(cyclohexen-1-yl)but-3-en-2-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(Z,2S)-4-bromo-4-(cyclohexen-1-yl)but-3-en-2-yl]oxy-tert-butyl-dimethylsilane
PubChem CID11152147
Molecular FormulaC16H29BrOSi
Molecular Weight345.40 g/mol
Exact Mass344.12
IUPAC Name[(Z,2S)-4-bromo-4-(cyclohexen-1-yl)but-3-en-2-yl]oxy-tert-butyl-dimethylsilane
SMILESC[C@@H](/C=C(\Br)C1=CCCCC1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H29BrOSi/c1-13(18-19(5,6)16(2,3)4)12-15(17)14-10-8-7-9-11-14/h10,12-13H,7-9,11H2,1-6H3/b15-12-/t13-/m0/s1
InChIKeyAUZODDHBFYXEGX-FRRXJZEGSA-N
XLogP6.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.40
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [(Z,2S)-4-bromo-4-(cyclohexen-1-yl)but-3-en-2-yl]oxy-tert-butyl-dimethylsilane with MolForge

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Related Compounds

[(2E,4Z)-4-bromoundeca-2,4-dienoxy]-tert-butyl-dimethylsilane
CID 101267050
[1-(Bromocyclohexylidenemethyl)allyloxy]trimethylsilane
CID 552655
[3-(Bromomethyl)cyclohex-2-en-1-yl]oxy-tert-butyl-dimethylsilane
CID 59262414
(6-Bromo-6-methylcyclohexa-2,4-dien-1-yl)oxy-tert-butyl-dimethylsilane
CID 151749783
(6-Bromo-2,3-dihydronaphthalen-2-yl)oxy-tri(propan-2-yl)silane
CID 163676160
[3-bromo-2-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane
CID 11695896
[(3E,5Z)-5-bromododeca-3,5,11-trien-2-yl]oxy-tert-butyl-dimethylsilane
CID 11696431
(3-Bromocyclohex-2-en-1-yl)oxy-tert-butyl-dimethylsilane
CID 15695154
[(4S,5E)-2-(bromomethyl)-6,10-dimethylundeca-1,5,10-trien-4-yl]oxy-triethylsilane
CID 71492006
(1S)-3-bromo-2-cyclohexen-1-yl tert-butyl(dimethyl)silyl ether
CID 99772044
[(1R)-2-bromocyclohex-2-en-1-yl]oxy-tert-butyl-dimethylsilane
CID 101702969
(3-Bromo-2-prop-2-enylcyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane
CID 102184984

Frequently Asked Questions

What is the IUPAC name of [(Z,2S)-4-bromo-4-(cyclohexen-1-yl)but-3-en-2-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(Z,2S)-4-bromo-4-(cyclohexen-1-yl)but-3-en-2-yl]oxy-tert-butyl-dimethylsilane (CID 11152147) is [(Z,2S)-4-bromo-4-(cyclohexen-1-yl)but-3-en-2-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(Z,2S)-4-bromo-4-(cyclohexen-1-yl)but-3-en-2-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(Z,2S)-4-bromo-4-(cyclohexen-1-yl)but-3-en-2-yl]oxy-tert-butyl-dimethylsilane is C[C@@H](/C=C(\Br)C1=CCCCC1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(Z,2S)-4-bromo-4-(cyclohexen-1-yl)but-3-en-2-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is AUZODDHBFYXEGX-FRRXJZEGSA-N. The full InChI is InChI=1S/C16H29BrOSi/c1-13(18-19(5,6)16(2,3)4)12-15(17)14-10-8-7-9-11-14/h10,12-13H,7-9,11H2,1-6H3/b15-12-/t13-/m0/s1.
What are the key properties of [(Z,2S)-4-bromo-4-(cyclohexen-1-yl)but-3-en-2-yl]oxy-tert-butyl-dimethylsilane?
[(Z,2S)-4-bromo-4-(cyclohexen-1-yl)but-3-en-2-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 345.40 g/mol, XLogP of 6.18, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z,2S)-4-bromo-4-(cyclohexen-1-yl)but-3-en-2-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 11152147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).