1-bromoethenyl-di(propan-2-yl)-(3,5,5-trimethylcyclohex-2-en-1-yl)oxysilane

C17H31BrOSi — CID 11602925

IUPAC1-bromoethenyl-di(propan-2-yl)-(3,5,5-trimethylcyclohex-2-en-1-yl)oxysilane
SMILESC=C(Br)[Si](OC1C=C(C)CC(C)(C)C1)(C(C)C)C(C)C
InChIInChI=1S/C17H31BrOSi/c1-12(2)20(13(3)4,15(6)18)19-16-9-14(5)10-17(7,8)11-16/h9,12-13,16H,6,10-11H2,1-5,7-8H3
InChIKeyGELVSCLBALNESR-UHFFFAOYSA-N
MW359.42 g/mol
LogP6.35
Rot. Bonds5

About 1-bromoethenyl-di(propan-2-yl)-(3,5,5-trimethylcyclohex-2-en-1-yl)oxysilane

1-bromoethenyl-di(propan-2-yl)-(3,5,5-trimethylcyclohex-2-en-1-yl)oxysilane (PubChem CID 11602925) has the molecular formula C17H31BrOSi and a molecular weight of 359.42 g/mol. Its IUPAC name is 1-bromoethenyl-di(propan-2-yl)-(3,5,5-trimethylcyclohex-2-en-1-yl)oxysilane.

Molecular Properties

Compound Name1-bromoethenyl-di(propan-2-yl)-(3,5,5-trimethylcyclohex-2-en-1-yl)oxysilane
PubChem CID11602925
Molecular FormulaC17H31BrOSi
Molecular Weight359.42 g/mol
Exact Mass358.13
IUPAC Name1-bromoethenyl-di(propan-2-yl)-(3,5,5-trimethylcyclohex-2-en-1-yl)oxysilane
SMILESC=C(Br)[Si](OC1C=C(C)CC(C)(C)C1)(C(C)C)C(C)C
InChIInChI=1S/C17H31BrOSi/c1-12(2)20(13(3)4,15(6)18)19-16-9-14(5)10-17(7,8)11-16/h9,12-13,16H,6,10-11H2,1-5,7-8H3
InChIKeyGELVSCLBALNESR-UHFFFAOYSA-N
XLogP6.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.42
LogP ≤ 56.35
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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Frequently Asked Questions

What is the IUPAC name of 1-bromoethenyl-di(propan-2-yl)-(3,5,5-trimethylcyclohex-2-en-1-yl)oxysilane?
The IUPAC name of 1-bromoethenyl-di(propan-2-yl)-(3,5,5-trimethylcyclohex-2-en-1-yl)oxysilane (CID 11602925) is 1-bromoethenyl-di(propan-2-yl)-(3,5,5-trimethylcyclohex-2-en-1-yl)oxysilane.
What is the SMILES notation for 1-bromoethenyl-di(propan-2-yl)-(3,5,5-trimethylcyclohex-2-en-1-yl)oxysilane?
The canonical SMILES for 1-bromoethenyl-di(propan-2-yl)-(3,5,5-trimethylcyclohex-2-en-1-yl)oxysilane is C=C(Br)[Si](OC1C=C(C)CC(C)(C)C1)(C(C)C)C(C)C.
What is the InChIKey of 1-bromoethenyl-di(propan-2-yl)-(3,5,5-trimethylcyclohex-2-en-1-yl)oxysilane?
The InChIKey is GELVSCLBALNESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31BrOSi/c1-12(2)20(13(3)4,15(6)18)19-16-9-14(5)10-17(7,8)11-16/h9,12-13,16H,6,10-11H2,1-5,7-8H3.
What are the key properties of 1-bromoethenyl-di(propan-2-yl)-(3,5,5-trimethylcyclohex-2-en-1-yl)oxysilane?
1-bromoethenyl-di(propan-2-yl)-(3,5,5-trimethylcyclohex-2-en-1-yl)oxysilane has a molecular weight of 359.42 g/mol, XLogP of 6.35, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromoethenyl-di(propan-2-yl)-(3,5,5-trimethylcyclohex-2-en-1-yl)oxysilane is sourced from PubChem (CID 11602925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).