12-bromododec-1-ynyl(trimethyl)silane

C15H29BrSi — CID 23044671

IUPAC12-bromododec-1-ynyl(trimethyl)silane
SMILESC[Si](C)(C)C#CCCCCCCCCCCBr
InChIInChI=1S/C15H29BrSi/c1-17(2,3)15-13-11-9-7-5-4-6-8-10-12-14-16/h4-12,14H2,1-3H3
InChIKeyIFWCEOASBLRDGW-UHFFFAOYSA-N
MW317.39 g/mol
LogP5.77
Rot. Bonds9

About 12-bromododec-1-ynyl(trimethyl)silane

12-bromododec-1-ynyl(trimethyl)silane (PubChem CID 23044671) has the molecular formula C15H29BrSi and a molecular weight of 317.39 g/mol. Its IUPAC name is 12-bromododec-1-ynyl(trimethyl)silane.

Molecular Properties

Compound Name12-bromododec-1-ynyl(trimethyl)silane
PubChem CID23044671
Molecular FormulaC15H29BrSi
Molecular Weight317.39 g/mol
Exact Mass316.12
IUPAC Name12-bromododec-1-ynyl(trimethyl)silane
SMILESC[Si](C)(C)C#CCCCCCCCCCCBr
InChIInChI=1S/C15H29BrSi/c1-17(2,3)15-13-11-9-7-5-4-6-8-10-12-14-16/h4-12,14H2,1-3H3
InChIKeyIFWCEOASBLRDGW-UHFFFAOYSA-N
XLogP5.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.39
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', '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 12-bromododec-1-ynyl(trimethyl)silane?
The IUPAC name of 12-bromododec-1-ynyl(trimethyl)silane (CID 23044671) is 12-bromododec-1-ynyl(trimethyl)silane.
What is the SMILES notation for 12-bromododec-1-ynyl(trimethyl)silane?
The canonical SMILES for 12-bromododec-1-ynyl(trimethyl)silane is C[Si](C)(C)C#CCCCCCCCCCCBr.
What is the InChIKey of 12-bromododec-1-ynyl(trimethyl)silane?
The InChIKey is IFWCEOASBLRDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29BrSi/c1-17(2,3)15-13-11-9-7-5-4-6-8-10-12-14-16/h4-12,14H2,1-3H3.
What are the key properties of 12-bromododec-1-ynyl(trimethyl)silane?
12-bromododec-1-ynyl(trimethyl)silane has a molecular weight of 317.39 g/mol, XLogP of 5.77, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 12-bromododec-1-ynyl(trimethyl)silane is sourced from PubChem (CID 23044671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).