3-(3-bromocyclohex-2-en-1-yl)oxyprop-1-ynyl-tert-butyl-dimethylsilane

C15H25BrOSi — CID 102358443

IUPAC3-(3-bromocyclohex-2-en-1-yl)oxyprop-1-ynyl-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)C#CCOC1C=C(Br)CCC1
InChIInChI=1S/C15H25BrOSi/c1-15(2,3)18(4,5)11-7-10-17-14-9-6-8-13(16)12-14/h12,14H,6,8-10H2,1-5H3
InChIKeyDVLIDHOVBAFWSE-UHFFFAOYSA-N
MW329.35 g/mol
LogP4.89
Rot. Bonds2

About 3-(3-bromocyclohex-2-en-1-yl)oxyprop-1-ynyl-tert-butyl-dimethylsilane

3-(3-bromocyclohex-2-en-1-yl)oxyprop-1-ynyl-tert-butyl-dimethylsilane (PubChem CID 102358443) has the molecular formula C15H25BrOSi and a molecular weight of 329.35 g/mol. Its IUPAC name is 3-(3-bromocyclohex-2-en-1-yl)oxyprop-1-ynyl-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name3-(3-bromocyclohex-2-en-1-yl)oxyprop-1-ynyl-tert-butyl-dimethylsilane
PubChem CID102358443
Molecular FormulaC15H25BrOSi
Molecular Weight329.35 g/mol
Exact Mass328.09
IUPAC Name3-(3-bromocyclohex-2-en-1-yl)oxyprop-1-ynyl-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)C#CCOC1C=C(Br)CCC1
InChIInChI=1S/C15H25BrOSi/c1-15(2,3)18(4,5)11-7-10-17-14-9-6-8-13(16)12-14/h12,14H,6,8-10H2,1-5H3
InChIKeyDVLIDHOVBAFWSE-UHFFFAOYSA-N
XLogP4.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

[(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
[(1R)-2-bromocyclohex-2-en-1-yl]oxy-tert-butyl-dimethylsilane
CID 101702969
4-(3-Bromocyclohex-2-en-1-yl)oxybut-2-ynoxy-tert-butyl-dimethylsilane
CID 102358441

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromocyclohex-2-en-1-yl)oxyprop-1-ynyl-tert-butyl-dimethylsilane?
The IUPAC name of 3-(3-bromocyclohex-2-en-1-yl)oxyprop-1-ynyl-tert-butyl-dimethylsilane (CID 102358443) is 3-(3-bromocyclohex-2-en-1-yl)oxyprop-1-ynyl-tert-butyl-dimethylsilane.
What is the SMILES notation for 3-(3-bromocyclohex-2-en-1-yl)oxyprop-1-ynyl-tert-butyl-dimethylsilane?
The canonical SMILES for 3-(3-bromocyclohex-2-en-1-yl)oxyprop-1-ynyl-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)C#CCOC1C=C(Br)CCC1.
What is the InChIKey of 3-(3-bromocyclohex-2-en-1-yl)oxyprop-1-ynyl-tert-butyl-dimethylsilane?
The InChIKey is DVLIDHOVBAFWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrOSi/c1-15(2,3)18(4,5)11-7-10-17-14-9-6-8-13(16)12-14/h12,14H,6,8-10H2,1-5H3.
What are the key properties of 3-(3-bromocyclohex-2-en-1-yl)oxyprop-1-ynyl-tert-butyl-dimethylsilane?
3-(3-bromocyclohex-2-en-1-yl)oxyprop-1-ynyl-tert-butyl-dimethylsilane has a molecular weight of 329.35 g/mol, XLogP of 4.89, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromocyclohex-2-en-1-yl)oxyprop-1-ynyl-tert-butyl-dimethylsilane is sourced from PubChem (CID 102358443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).