[(3R)-10,10-dibromo-3-methyldec-9-en-1-ynyl]-triethylsilane

C17H30Br2Si — CID 90075409

IUPAC[(3R)-10,10-dibromo-3-methyldec-9-en-1-ynyl]-triethylsilane
SMILESCC[Si](C#C[C@H](C)CCCCCC=C(Br)Br)(CC)CC
InChIInChI=1S/C17H30Br2Si/c1-5-20(6-2,7-3)15-14-16(4)12-10-8-9-11-13-17(18)19/h13,16H,5-12H2,1-4H3/t16-/m1/s1
InChIKeyDUCOORXIHZINHN-MRXNPFEDSA-N
MW422.32 g/mol
LogP7.26
Rot. Bonds9

About [(3R)-10,10-dibromo-3-methyldec-9-en-1-ynyl]-triethylsilane

[(3R)-10,10-dibromo-3-methyldec-9-en-1-ynyl]-triethylsilane (PubChem CID 90075409) has the molecular formula C17H30Br2Si and a molecular weight of 422.32 g/mol. Its IUPAC name is [(3R)-10,10-dibromo-3-methyldec-9-en-1-ynyl]-triethylsilane.

Molecular Properties

Compound Name[(3R)-10,10-dibromo-3-methyldec-9-en-1-ynyl]-triethylsilane
PubChem CID90075409
Molecular FormulaC17H30Br2Si
Molecular Weight422.32 g/mol
Exact Mass420.05
IUPAC Name[(3R)-10,10-dibromo-3-methyldec-9-en-1-ynyl]-triethylsilane
SMILESCC[Si](C#C[C@H](C)CCCCCC=C(Br)Br)(CC)CC
InChIInChI=1S/C17H30Br2Si/c1-5-20(6-2,7-3)15-14-16(4)12-10-8-9-11-13-17(18)19/h13,16H,5-12H2,1-4H3/t16-/m1/s1
InChIKeyDUCOORXIHZINHN-MRXNPFEDSA-N
XLogP7.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.32
LogP ≤ 57.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(3R)-10,10-dibromo-3-methyldec-9-en-1-ynyl]-triethylsilane?
The IUPAC name of [(3R)-10,10-dibromo-3-methyldec-9-en-1-ynyl]-triethylsilane (CID 90075409) is [(3R)-10,10-dibromo-3-methyldec-9-en-1-ynyl]-triethylsilane.
What is the SMILES notation for [(3R)-10,10-dibromo-3-methyldec-9-en-1-ynyl]-triethylsilane?
The canonical SMILES for [(3R)-10,10-dibromo-3-methyldec-9-en-1-ynyl]-triethylsilane is CC[Si](C#C[C@H](C)CCCCCC=C(Br)Br)(CC)CC.
What is the InChIKey of [(3R)-10,10-dibromo-3-methyldec-9-en-1-ynyl]-triethylsilane?
The InChIKey is DUCOORXIHZINHN-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H30Br2Si/c1-5-20(6-2,7-3)15-14-16(4)12-10-8-9-11-13-17(18)19/h13,16H,5-12H2,1-4H3/t16-/m1/s1.
What are the key properties of [(3R)-10,10-dibromo-3-methyldec-9-en-1-ynyl]-triethylsilane?
[(3R)-10,10-dibromo-3-methyldec-9-en-1-ynyl]-triethylsilane has a molecular weight of 422.32 g/mol, XLogP of 7.26, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-10,10-dibromo-3-methyldec-9-en-1-ynyl]-triethylsilane is sourced from PubChem (CID 90075409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).