(1-bromo-1-cyclohexylidenebut-3-en-2-yl)oxy-trimethylsilane

C13H23BrOSi — CID 552655

IUPAC(1-bromo-1-cyclohexylidenebut-3-en-2-yl)oxy-trimethylsilane
SMILESC=CC(O[Si](C)(C)C)C(Br)=C1CCCCC1
InChIInChI=1S/C13H23BrOSi/c1-5-12(15-16(2,3)4)13(14)11-9-7-6-8-10-11/h5,12H,1,6-10H2,2-4H3
InChIKeyNYWJKIOFIVTOKD-UHFFFAOYSA-N
MW303.32 g/mol
LogP5.01
Rot. Bonds4

About (1-bromo-1-cyclohexylidenebut-3-en-2-yl)oxy-trimethylsilane

(1-bromo-1-cyclohexylidenebut-3-en-2-yl)oxy-trimethylsilane (PubChem CID 552655) has the molecular formula C13H23BrOSi and a molecular weight of 303.32 g/mol. Its IUPAC name is (1-bromo-1-cyclohexylidenebut-3-en-2-yl)oxy-trimethylsilane.

Molecular Properties

Compound Name(1-bromo-1-cyclohexylidenebut-3-en-2-yl)oxy-trimethylsilane
PubChem CID552655
Molecular FormulaC13H23BrOSi
Molecular Weight303.32 g/mol
Exact Mass302.07
IUPAC Name(1-bromo-1-cyclohexylidenebut-3-en-2-yl)oxy-trimethylsilane
SMILESC=CC(O[Si](C)(C)C)C(Br)=C1CCCCC1
InChIInChI=1S/C13H23BrOSi/c1-5-12(15-16(2,3)4)13(14)11-9-7-6-8-10-11/h5,12H,1,6-10H2,2-4H3
InChIKeyNYWJKIOFIVTOKD-UHFFFAOYSA-N
XLogP5.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.32
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(Z,2S)-4-bromo-4-(cyclohexen-1-yl)but-3-en-2-yl]oxy-tert-butyl-dimethylsilane
CID 11152147
[1-(Bromocyclohexylidenemethyl)-2,2-dimethylpropoxy]trimethylsilane
CID 553693
[3-bromo-2-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane
CID 11695896
(3-Bromocyclohex-2-en-1-yl)oxy-tert-butyl-dimethylsilane
CID 15695154
(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
[3-bromo-2-[(E)-pent-2-enyl]cyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane
CID 102184985
[3-bromo-2-[(E)-but-2-enyl]cyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane
CID 102184986

Frequently Asked Questions

What is the IUPAC name of (1-bromo-1-cyclohexylidenebut-3-en-2-yl)oxy-trimethylsilane?
The IUPAC name of (1-bromo-1-cyclohexylidenebut-3-en-2-yl)oxy-trimethylsilane (CID 552655) is (1-bromo-1-cyclohexylidenebut-3-en-2-yl)oxy-trimethylsilane.
What is the SMILES notation for (1-bromo-1-cyclohexylidenebut-3-en-2-yl)oxy-trimethylsilane?
The canonical SMILES for (1-bromo-1-cyclohexylidenebut-3-en-2-yl)oxy-trimethylsilane is C=CC(O[Si](C)(C)C)C(Br)=C1CCCCC1.
What is the InChIKey of (1-bromo-1-cyclohexylidenebut-3-en-2-yl)oxy-trimethylsilane?
The InChIKey is NYWJKIOFIVTOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23BrOSi/c1-5-12(15-16(2,3)4)13(14)11-9-7-6-8-10-11/h5,12H,1,6-10H2,2-4H3.
What are the key properties of (1-bromo-1-cyclohexylidenebut-3-en-2-yl)oxy-trimethylsilane?
(1-bromo-1-cyclohexylidenebut-3-en-2-yl)oxy-trimethylsilane has a molecular weight of 303.32 g/mol, XLogP of 5.01, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-bromo-1-cyclohexylidenebut-3-en-2-yl)oxy-trimethylsilane is sourced from PubChem (CID 552655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).