(2R)-2-[(1R)-3,3-dibromo-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]cyclohexan-1-one

C15H26Br2O2Si — CID 138970627

IUPAC(2R)-2-[(1R)-3,3-dibromo-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]cyclohexan-1-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H](C=C(Br)Br)[C@H]1CCCCC1=O
InChIInChI=1S/C15H26Br2O2Si/c1-15(2,3)20(4,5)19-13(10-14(16)17)11-8-6-7-9-12(11)18/h10-11,13H,6-9H2,1-5H3/t11-,13-/m0/s1
InChIKeyDKASWWUIGRQIHO-AAEUAGOBSA-N
MW426.27 g/mol
LogP5.77
Rot. Bonds4

About (2R)-2-[(1R)-3,3-dibromo-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]cyclohexan-1-one

(2R)-2-[(1R)-3,3-dibromo-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]cyclohexan-1-one (PubChem CID 138970627) has the molecular formula C15H26Br2O2Si and a molecular weight of 426.27 g/mol. Its IUPAC name is (2R)-2-[(1R)-3,3-dibromo-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]cyclohexan-1-one.

Molecular Properties

Compound Name(2R)-2-[(1R)-3,3-dibromo-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]cyclohexan-1-one
PubChem CID138970627
Molecular FormulaC15H26Br2O2Si
Molecular Weight426.27 g/mol
Exact Mass424.01
IUPAC Name(2R)-2-[(1R)-3,3-dibromo-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]cyclohexan-1-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H](C=C(Br)Br)[C@H]1CCCCC1=O
InChIInChI=1S/C15H26Br2O2Si/c1-15(2,3)20(4,5)19-13(10-14(16)17)11-8-6-7-9-12(11)18/h10-11,13H,6-9H2,1-5H3/t11-,13-/m0/s1
InChIKeyDKASWWUIGRQIHO-AAEUAGOBSA-N
XLogP5.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.27
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R,5S,6R,7S)-1,1-dibromo-3,5,7-trimethyl-6-tri(propan-2-yl)silyloxynon-1-en-4-one
CID 11156519
(2R)-2-[(1S)-3,3-dibromo-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]cyclohexan-1-one
CID 138970626

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1R)-3,3-dibromo-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]cyclohexan-1-one?
The IUPAC name of (2R)-2-[(1R)-3,3-dibromo-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]cyclohexan-1-one (CID 138970627) is (2R)-2-[(1R)-3,3-dibromo-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]cyclohexan-1-one.
What is the SMILES notation for (2R)-2-[(1R)-3,3-dibromo-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]cyclohexan-1-one?
The canonical SMILES for (2R)-2-[(1R)-3,3-dibromo-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]cyclohexan-1-one is CC(C)(C)[Si](C)(C)O[C@@H](C=C(Br)Br)[C@H]1CCCCC1=O.
What is the InChIKey of (2R)-2-[(1R)-3,3-dibromo-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]cyclohexan-1-one?
The InChIKey is DKASWWUIGRQIHO-AAEUAGOBSA-N. The full InChI is InChI=1S/C15H26Br2O2Si/c1-15(2,3)20(4,5)19-13(10-14(16)17)11-8-6-7-9-12(11)18/h10-11,13H,6-9H2,1-5H3/t11-,13-/m0/s1.
What are the key properties of (2R)-2-[(1R)-3,3-dibromo-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]cyclohexan-1-one?
(2R)-2-[(1R)-3,3-dibromo-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]cyclohexan-1-one has a molecular weight of 426.27 g/mol, XLogP of 5.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1R)-3,3-dibromo-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]cyclohexan-1-one is sourced from PubChem (CID 138970627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).