13-chlorotridec-1-ynyl(trimethyl)silane

C16H31ClSi — CID 19855323

IUPAC13-chlorotridec-1-ynyl(trimethyl)silane
SMILESC[Si](C)(C)C#CCCCCCCCCCCCCl
InChIInChI=1S/C16H31ClSi/c1-18(2,3)16-14-12-10-8-6-4-5-7-9-11-13-15-17/h4-13,15H2,1-3H3
InChIKeyCVYTUHQKIDKYTR-UHFFFAOYSA-N
MW286.96 g/mol
LogP6.01
Rot. Bonds10

About 13-chlorotridec-1-ynyl(trimethyl)silane

13-chlorotridec-1-ynyl(trimethyl)silane (PubChem CID 19855323) has the molecular formula C16H31ClSi and a molecular weight of 286.96 g/mol. Its IUPAC name is 13-chlorotridec-1-ynyl(trimethyl)silane.

Molecular Properties

Compound Name13-chlorotridec-1-ynyl(trimethyl)silane
PubChem CID19855323
Molecular FormulaC16H31ClSi
Molecular Weight286.96 g/mol
Exact Mass286.19
IUPAC Name13-chlorotridec-1-ynyl(trimethyl)silane
SMILESC[Si](C)(C)C#CCCCCCCCCCCCCl
InChIInChI=1S/C16H31ClSi/c1-18(2,3)16-14-12-10-8-6-4-5-7-9-11-13-15-17/h4-13,15H2,1-3H3
InChIKeyCVYTUHQKIDKYTR-UHFFFAOYSA-N
XLogP6.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.96
LogP ≤ 56.01
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 13-chlorotridec-1-ynyl(trimethyl)silane?
The IUPAC name of 13-chlorotridec-1-ynyl(trimethyl)silane (CID 19855323) is 13-chlorotridec-1-ynyl(trimethyl)silane.
What is the SMILES notation for 13-chlorotridec-1-ynyl(trimethyl)silane?
The canonical SMILES for 13-chlorotridec-1-ynyl(trimethyl)silane is C[Si](C)(C)C#CCCCCCCCCCCCCl.
What is the InChIKey of 13-chlorotridec-1-ynyl(trimethyl)silane?
The InChIKey is CVYTUHQKIDKYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31ClSi/c1-18(2,3)16-14-12-10-8-6-4-5-7-9-11-13-15-17/h4-13,15H2,1-3H3.
What are the key properties of 13-chlorotridec-1-ynyl(trimethyl)silane?
13-chlorotridec-1-ynyl(trimethyl)silane has a molecular weight of 286.96 g/mol, XLogP of 6.01, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 13-chlorotridec-1-ynyl(trimethyl)silane is sourced from PubChem (CID 19855323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).