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

C14H23Br2ClOSi — CID 11697684

IUPAC[(2S,6R)-4-chloro-6-(4,4-dibromobut-3-enyl)-2,3-dimethyl-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane
SMILESCC1C(Cl)=C([Si](C)(C)C)[C@@H](CCC=C(Br)Br)O[C@H]1C
InChIInChI=1S/C14H23Br2ClOSi/c1-9-10(2)18-11(7-6-8-12(15)16)14(13(9)17)19(3,4)5/h8-11H,6-7H2,1-5H3/t9?,10-,11+/m0/s1
InChIKeyCVXNBYRYKBDBOW-QXXIUIOUSA-N
MW430.68 g/mol
LogP6.19
Rot. Bonds4

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

[(2S,6R)-4-chloro-6-(4,4-dibromobut-3-enyl)-2,3-dimethyl-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane (PubChem CID 11697684) has the molecular formula C14H23Br2ClOSi and a molecular weight of 430.68 g/mol. Its IUPAC name is [(2S,6R)-4-chloro-6-(4,4-dibromobut-3-enyl)-2,3-dimethyl-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane.

Molecular Properties

Compound Name[(2S,6R)-4-chloro-6-(4,4-dibromobut-3-enyl)-2,3-dimethyl-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane
PubChem CID11697684
Molecular FormulaC14H23Br2ClOSi
Molecular Weight430.68 g/mol
Exact Mass427.96
IUPAC Name[(2S,6R)-4-chloro-6-(4,4-dibromobut-3-enyl)-2,3-dimethyl-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane
SMILESCC1C(Cl)=C([Si](C)(C)C)[C@@H](CCC=C(Br)Br)O[C@H]1C
InChIInChI=1S/C14H23Br2ClOSi/c1-9-10(2)18-11(7-6-8-12(15)16)14(13(9)17)19(3,4)5/h8-11H,6-7H2,1-5H3/t9?,10-,11+/m0/s1
InChIKeyCVXNBYRYKBDBOW-QXXIUIOUSA-N
XLogP6.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.68
LogP ≤ 56.19
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

[4-chloro-6-(2-methylpropyl)-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane
CID 44431628
[(2S,6R)-6-butan-2-yl-4-chloro-2-methyl-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane
CID 44431630
[(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-2-methyl-6-(2-methylpropyl)-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane
CID 102181144
[(2S,6R)-4-chloro-6-(3,3-dibromoprop-2-enyl)-2,3-dimethyl-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane
CID 102181148
[(2S,6S)-4-chloro-2-methyl-6-(2-methylpropyl)-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane
CID 134928859
[(2S,6S)-6-butan-2-yl-4-chloro-2-methyl-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane
CID 134992589
[(2S,6S)-4-chloro-6-(3,3-dibromoprop-2-enyl)-2,3-dimethyl-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane
CID 134992812

Frequently Asked Questions

What is the IUPAC name of [(2S,6R)-4-chloro-6-(4,4-dibromobut-3-enyl)-2,3-dimethyl-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane?
The IUPAC name of [(2S,6R)-4-chloro-6-(4,4-dibromobut-3-enyl)-2,3-dimethyl-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane (CID 11697684) is [(2S,6R)-4-chloro-6-(4,4-dibromobut-3-enyl)-2,3-dimethyl-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane.
What is the SMILES notation for [(2S,6R)-4-chloro-6-(4,4-dibromobut-3-enyl)-2,3-dimethyl-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane?
The canonical SMILES for [(2S,6R)-4-chloro-6-(4,4-dibromobut-3-enyl)-2,3-dimethyl-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane is CC1C(Cl)=C([Si](C)(C)C)[C@@H](CCC=C(Br)Br)O[C@H]1C.
What is the InChIKey of [(2S,6R)-4-chloro-6-(4,4-dibromobut-3-enyl)-2,3-dimethyl-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane?
The InChIKey is CVXNBYRYKBDBOW-QXXIUIOUSA-N. The full InChI is InChI=1S/C14H23Br2ClOSi/c1-9-10(2)18-11(7-6-8-12(15)16)14(13(9)17)19(3,4)5/h8-11H,6-7H2,1-5H3/t9?,10-,11+/m0/s1.
What are the key properties of [(2S,6R)-4-chloro-6-(4,4-dibromobut-3-enyl)-2,3-dimethyl-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane?
[(2S,6R)-4-chloro-6-(4,4-dibromobut-3-enyl)-2,3-dimethyl-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane has a molecular weight of 430.68 g/mol, XLogP of 6.19, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,6R)-4-chloro-6-(4,4-dibromobut-3-enyl)-2,3-dimethyl-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane is sourced from PubChem (CID 11697684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).