2-[(1R,2R)-2-(2,2-dibromoethenyl)-1-methylcyclohexyl]ethynyl-triethylsilane

C17H28Br2Si — CID 140681351

IUPAC2-[(1R,2R)-2-(2,2-dibromoethenyl)-1-methylcyclohexyl]ethynyl-triethylsilane
SMILESCC[Si](C#C[C@]1(C)CCCC[C@@H]1C=C(Br)Br)(CC)CC
InChIInChI=1S/C17H28Br2Si/c1-5-20(6-2,7-3)13-12-17(4)11-9-8-10-15(17)14-16(18)19/h14-15H,5-11H2,1-4H3/t15-,17+/m1/s1
InChIKeyMTPKODFODKLWRQ-WBVHZDCISA-N
MW420.31 g/mol
LogP6.87
Rot. Bonds4

About 2-[(1R,2R)-2-(2,2-dibromoethenyl)-1-methylcyclohexyl]ethynyl-triethylsilane

2-[(1R,2R)-2-(2,2-dibromoethenyl)-1-methylcyclohexyl]ethynyl-triethylsilane (PubChem CID 140681351) has the molecular formula C17H28Br2Si and a molecular weight of 420.31 g/mol. Its IUPAC name is 2-[(1R,2R)-2-(2,2-dibromoethenyl)-1-methylcyclohexyl]ethynyl-triethylsilane.

Molecular Properties

Compound Name2-[(1R,2R)-2-(2,2-dibromoethenyl)-1-methylcyclohexyl]ethynyl-triethylsilane
PubChem CID140681351
Molecular FormulaC17H28Br2Si
Molecular Weight420.31 g/mol
Exact Mass418.03
IUPAC Name2-[(1R,2R)-2-(2,2-dibromoethenyl)-1-methylcyclohexyl]ethynyl-triethylsilane
SMILESCC[Si](C#C[C@]1(C)CCCC[C@@H]1C=C(Br)Br)(CC)CC
InChIInChI=1S/C17H28Br2Si/c1-5-20(6-2,7-3)13-12-17(4)11-9-8-10-15(17)14-16(18)19/h14-15H,5-11H2,1-4H3/t15-,17+/m1/s1
InChIKeyMTPKODFODKLWRQ-WBVHZDCISA-N
XLogP6.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.31
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

[(3R)-10,10-dibromo-3-methyldec-9-en-1-ynyl]-triethylsilane
CID 90075409
trans-(1R,2R)-2-(2,2-dibromoethenyl)-1-methyl-1-prop-1-ynylcyclohexane
CID 118261073
[(2R)-4-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]but-3-yn-2-yl]-trimethylsilane
CID 139775018
4-(2,2-Dimethyl-6-methylidenecyclohexyl)but-1-ynyl-trimethylsilane
CID 14563320

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2R)-2-(2,2-dibromoethenyl)-1-methylcyclohexyl]ethynyl-triethylsilane?
The IUPAC name of 2-[(1R,2R)-2-(2,2-dibromoethenyl)-1-methylcyclohexyl]ethynyl-triethylsilane (CID 140681351) is 2-[(1R,2R)-2-(2,2-dibromoethenyl)-1-methylcyclohexyl]ethynyl-triethylsilane.
What is the SMILES notation for 2-[(1R,2R)-2-(2,2-dibromoethenyl)-1-methylcyclohexyl]ethynyl-triethylsilane?
The canonical SMILES for 2-[(1R,2R)-2-(2,2-dibromoethenyl)-1-methylcyclohexyl]ethynyl-triethylsilane is CC[Si](C#C[C@]1(C)CCCC[C@@H]1C=C(Br)Br)(CC)CC.
What is the InChIKey of 2-[(1R,2R)-2-(2,2-dibromoethenyl)-1-methylcyclohexyl]ethynyl-triethylsilane?
The InChIKey is MTPKODFODKLWRQ-WBVHZDCISA-N. The full InChI is InChI=1S/C17H28Br2Si/c1-5-20(6-2,7-3)13-12-17(4)11-9-8-10-15(17)14-16(18)19/h14-15H,5-11H2,1-4H3/t15-,17+/m1/s1.
What are the key properties of 2-[(1R,2R)-2-(2,2-dibromoethenyl)-1-methylcyclohexyl]ethynyl-triethylsilane?
2-[(1R,2R)-2-(2,2-dibromoethenyl)-1-methylcyclohexyl]ethynyl-triethylsilane has a molecular weight of 420.31 g/mol, XLogP of 6.87, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2R)-2-(2,2-dibromoethenyl)-1-methylcyclohexyl]ethynyl-triethylsilane is sourced from PubChem (CID 140681351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).