2-[(1R)-3-bromocyclohex-3-en-1-yl]prop-2-enoxy-tert-butyl-dimethylsilane

C15H27BrOSi — CID 154720648

IUPAC2-[(1R)-3-bromocyclohex-3-en-1-yl]prop-2-enoxy-tert-butyl-dimethylsilane
SMILESC=C(CO[Si](C)(C)C(C)(C)C)[C@@H]1CCC=C(Br)C1
InChIInChI=1S/C15H27BrOSi/c1-12(13-8-7-9-14(16)10-13)11-17-18(5,6)15(2,3)4/h9,13H,1,7-8,10-11H2,2-6H3/t13-/m1/s1
InChIKeyICDYEUCJBLRFEN-CYBMUJFWSA-N
MW331.37 g/mol
LogP5.64
Rot. Bonds4

About 2-[(1R)-3-bromocyclohex-3-en-1-yl]prop-2-enoxy-tert-butyl-dimethylsilane

2-[(1R)-3-bromocyclohex-3-en-1-yl]prop-2-enoxy-tert-butyl-dimethylsilane (PubChem CID 154720648) has the molecular formula C15H27BrOSi and a molecular weight of 331.37 g/mol. Its IUPAC name is 2-[(1R)-3-bromocyclohex-3-en-1-yl]prop-2-enoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name2-[(1R)-3-bromocyclohex-3-en-1-yl]prop-2-enoxy-tert-butyl-dimethylsilane
PubChem CID154720648
Molecular FormulaC15H27BrOSi
Molecular Weight331.37 g/mol
Exact Mass330.10
IUPAC Name2-[(1R)-3-bromocyclohex-3-en-1-yl]prop-2-enoxy-tert-butyl-dimethylsilane
SMILESC=C(CO[Si](C)(C)C(C)(C)C)[C@@H]1CCC=C(Br)C1
InChIInChI=1S/C15H27BrOSi/c1-12(13-8-7-9-14(16)10-13)11-17-18(5,6)15(2,3)4/h9,13H,1,7-8,10-11H2,2-6H3/t13-/m1/s1
InChIKeyICDYEUCJBLRFEN-CYBMUJFWSA-N
XLogP5.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.37
LogP ≤ 55.64
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 2-[(1R)-3-bromocyclohex-3-en-1-yl]prop-2-enoxy-tert-butyl-dimethylsilane?
The IUPAC name of 2-[(1R)-3-bromocyclohex-3-en-1-yl]prop-2-enoxy-tert-butyl-dimethylsilane (CID 154720648) is 2-[(1R)-3-bromocyclohex-3-en-1-yl]prop-2-enoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for 2-[(1R)-3-bromocyclohex-3-en-1-yl]prop-2-enoxy-tert-butyl-dimethylsilane?
The canonical SMILES for 2-[(1R)-3-bromocyclohex-3-en-1-yl]prop-2-enoxy-tert-butyl-dimethylsilane is C=C(CO[Si](C)(C)C(C)(C)C)[C@@H]1CCC=C(Br)C1.
What is the InChIKey of 2-[(1R)-3-bromocyclohex-3-en-1-yl]prop-2-enoxy-tert-butyl-dimethylsilane?
The InChIKey is ICDYEUCJBLRFEN-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H27BrOSi/c1-12(13-8-7-9-14(16)10-13)11-17-18(5,6)15(2,3)4/h9,13H,1,7-8,10-11H2,2-6H3/t13-/m1/s1.
What are the key properties of 2-[(1R)-3-bromocyclohex-3-en-1-yl]prop-2-enoxy-tert-butyl-dimethylsilane?
2-[(1R)-3-bromocyclohex-3-en-1-yl]prop-2-enoxy-tert-butyl-dimethylsilane has a molecular weight of 331.37 g/mol, XLogP of 5.64, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-3-bromocyclohex-3-en-1-yl]prop-2-enoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 154720648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).