4-(3-bromocyclohex-2-en-1-yl)oxybut-2-ynoxy-tert-butyl-dimethylsilane

C16H27BrO2Si — CID 102358441

IUPAC4-(3-bromocyclohex-2-en-1-yl)oxybut-2-ynoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC#CCOC1C=C(Br)CCC1
InChIInChI=1S/C16H27BrO2Si/c1-16(2,3)20(4,5)19-12-7-6-11-18-15-10-8-9-14(17)13-15/h13,15H,8-12H2,1-5H3
InChIKeyIFPPMKSNJHNQAF-UHFFFAOYSA-N
MW359.38 g/mol
LogP4.86
Rot. Bonds4

About 4-(3-bromocyclohex-2-en-1-yl)oxybut-2-ynoxy-tert-butyl-dimethylsilane

4-(3-bromocyclohex-2-en-1-yl)oxybut-2-ynoxy-tert-butyl-dimethylsilane (PubChem CID 102358441) has the molecular formula C16H27BrO2Si and a molecular weight of 359.38 g/mol. Its IUPAC name is 4-(3-bromocyclohex-2-en-1-yl)oxybut-2-ynoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name4-(3-bromocyclohex-2-en-1-yl)oxybut-2-ynoxy-tert-butyl-dimethylsilane
PubChem CID102358441
Molecular FormulaC16H27BrO2Si
Molecular Weight359.38 g/mol
Exact Mass358.10
IUPAC Name4-(3-bromocyclohex-2-en-1-yl)oxybut-2-ynoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC#CCOC1C=C(Br)CCC1
InChIInChI=1S/C16H27BrO2Si/c1-16(2,3)20(4,5)19-12-7-6-11-18-15-10-8-9-14(17)13-15/h13,15H,8-12H2,1-5H3
InChIKeyIFPPMKSNJHNQAF-UHFFFAOYSA-N
XLogP4.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(3E,5Z,7S)-5-bromo-7-methoxydodeca-3,5,11-trien-2-yl]oxy-tert-butyl-dimethylsilane
CID 134942346
[(1S,2S)-3-bromo-2-prop-2-enoxycyclohex-3-en-1-yl]oxy-tert-butyl-dimethylsilane
CID 16105057
(3-Bromocyclohex-2-en-1-yl)oxy-tert-butyl-dimethylsilane
CID 15695154
3-(2-Bromocyclohex-2-en-1-yl)oxyprop-1-ynyl-trimethylsilane
CID 85802275
(1S)-3-bromo-2-cyclohexen-1-yl tert-butyl(dimethyl)silyl ether
CID 99772044
[(2S,4S,6R)-2-[(E)-4-bromobut-1-enyl]-6-ethenyloxan-4-yl]oxy-tert-butyl-dimethylsilane
CID 101179869
[(1R)-2-bromocyclohex-2-en-1-yl]oxy-tert-butyl-dimethylsilane
CID 101702969
3-(3-Bromocyclohex-2-en-1-yl)oxyprop-1-ynyl-tert-butyl-dimethylsilane
CID 102358443

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromocyclohex-2-en-1-yl)oxybut-2-ynoxy-tert-butyl-dimethylsilane?
The IUPAC name of 4-(3-bromocyclohex-2-en-1-yl)oxybut-2-ynoxy-tert-butyl-dimethylsilane (CID 102358441) is 4-(3-bromocyclohex-2-en-1-yl)oxybut-2-ynoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for 4-(3-bromocyclohex-2-en-1-yl)oxybut-2-ynoxy-tert-butyl-dimethylsilane?
The canonical SMILES for 4-(3-bromocyclohex-2-en-1-yl)oxybut-2-ynoxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OCC#CCOC1C=C(Br)CCC1.
What is the InChIKey of 4-(3-bromocyclohex-2-en-1-yl)oxybut-2-ynoxy-tert-butyl-dimethylsilane?
The InChIKey is IFPPMKSNJHNQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27BrO2Si/c1-16(2,3)20(4,5)19-12-7-6-11-18-15-10-8-9-14(17)13-15/h13,15H,8-12H2,1-5H3.
What are the key properties of 4-(3-bromocyclohex-2-en-1-yl)oxybut-2-ynoxy-tert-butyl-dimethylsilane?
4-(3-bromocyclohex-2-en-1-yl)oxybut-2-ynoxy-tert-butyl-dimethylsilane has a molecular weight of 359.38 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromocyclohex-2-en-1-yl)oxybut-2-ynoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 102358441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).