[(2S,6S)-4-chloro-6-(3,3-dibromoprop-2-enyl)-2,3-dimethyl-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane

C13H21Br2ClOSi — CID 134992812

IUPAC[(2S,6S)-4-chloro-6-(3,3-dibromoprop-2-enyl)-2,3-dimethyl-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane
SMILESCC1C(Cl)=C([Si](C)(C)C)[C@H](CC=C(Br)Br)O[C@H]1C
InChIInChI=1S/C13H21Br2ClOSi/c1-8-9(2)17-10(6-7-11(14)15)13(12(8)16)18(3,4)5/h7-10H,6H2,1-5H3/t8?,9-,10-/m0/s1
InChIKeyKGYLQCLVTQUWKV-AGROOBSYSA-N
MW416.66 g/mol
LogP5.80
Rot. Bonds3

About [(2S,6S)-4-chloro-6-(3,3-dibromoprop-2-enyl)-2,3-dimethyl-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane

[(2S,6S)-4-chloro-6-(3,3-dibromoprop-2-enyl)-2,3-dimethyl-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane (PubChem CID 134992812) has the molecular formula C13H21Br2ClOSi and a molecular weight of 416.66 g/mol. Its IUPAC name is [(2S,6S)-4-chloro-6-(3,3-dibromoprop-2-enyl)-2,3-dimethyl-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane.

Molecular Properties

Compound Name[(2S,6S)-4-chloro-6-(3,3-dibromoprop-2-enyl)-2,3-dimethyl-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane
PubChem CID134992812
Molecular FormulaC13H21Br2ClOSi
Molecular Weight416.66 g/mol
Exact Mass413.94
IUPAC Name[(2S,6S)-4-chloro-6-(3,3-dibromoprop-2-enyl)-2,3-dimethyl-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane
SMILESCC1C(Cl)=C([Si](C)(C)C)[C@H](CC=C(Br)Br)O[C@H]1C
InChIInChI=1S/C13H21Br2ClOSi/c1-8-9(2)17-10(6-7-11(14)15)13(12(8)16)18(3,4)5/h7-10H,6H2,1-5H3/t8?,9-,10-/m0/s1
InChIKeyKGYLQCLVTQUWKV-AGROOBSYSA-N
XLogP5.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.66
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(2S,3S,6R)-4-chloro-6-(4,4-dibromobut-3-enyl)-2,3-dimethyl-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane
CID 44431682
[(2S,3S,6R)-6-but-3-enyl-4-chloro-2,3-dimethyl-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane
CID 44431683
[(2S,6R)-4-chloro-6-(3,3-dibromoprop-2-enyl)-2,3-dimethyl-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane
CID 102181148
[(2S,6R)-4-chloro-6-(4,4-dibromobut-3-enyl)-2,3-dimethyl-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane
CID 11697684

Frequently Asked Questions

What is the IUPAC name of [(2S,6S)-4-chloro-6-(3,3-dibromoprop-2-enyl)-2,3-dimethyl-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane?
The IUPAC name of [(2S,6S)-4-chloro-6-(3,3-dibromoprop-2-enyl)-2,3-dimethyl-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane (CID 134992812) is [(2S,6S)-4-chloro-6-(3,3-dibromoprop-2-enyl)-2,3-dimethyl-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane.
What is the SMILES notation for [(2S,6S)-4-chloro-6-(3,3-dibromoprop-2-enyl)-2,3-dimethyl-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane?
The canonical SMILES for [(2S,6S)-4-chloro-6-(3,3-dibromoprop-2-enyl)-2,3-dimethyl-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane is CC1C(Cl)=C([Si](C)(C)C)[C@H](CC=C(Br)Br)O[C@H]1C.
What is the InChIKey of [(2S,6S)-4-chloro-6-(3,3-dibromoprop-2-enyl)-2,3-dimethyl-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane?
The InChIKey is KGYLQCLVTQUWKV-AGROOBSYSA-N. The full InChI is InChI=1S/C13H21Br2ClOSi/c1-8-9(2)17-10(6-7-11(14)15)13(12(8)16)18(3,4)5/h7-10H,6H2,1-5H3/t8?,9-,10-/m0/s1.
What are the key properties of [(2S,6S)-4-chloro-6-(3,3-dibromoprop-2-enyl)-2,3-dimethyl-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane?
[(2S,6S)-4-chloro-6-(3,3-dibromoprop-2-enyl)-2,3-dimethyl-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane has a molecular weight of 416.66 g/mol, XLogP of 5.80, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,6S)-4-chloro-6-(3,3-dibromoprop-2-enyl)-2,3-dimethyl-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane is sourced from PubChem (CID 134992812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).