6-chlorohex-1-ynyl(triethyl)silane

C12H23ClSi — CID 102112680

IUPAC6-chlorohex-1-ynyl(triethyl)silane
SMILESCC[Si](C#CCCCCCl)(CC)CC
InChIInChI=1S/C12H23ClSi/c1-4-14(5-2,6-3)12-10-8-7-9-11-13/h4-9,11H2,1-3H3
InChIKeyARMJSRPYBVAIBZ-UHFFFAOYSA-N
MW230.85 g/mol
LogP4.45
Rot. Bonds6

About 6-chlorohex-1-ynyl(triethyl)silane

6-chlorohex-1-ynyl(triethyl)silane (PubChem CID 102112680) has the molecular formula C12H23ClSi and a molecular weight of 230.85 g/mol. Its IUPAC name is 6-chlorohex-1-ynyl(triethyl)silane.

Molecular Properties

Compound Name6-chlorohex-1-ynyl(triethyl)silane
PubChem CID102112680
Molecular FormulaC12H23ClSi
Molecular Weight230.85 g/mol
Exact Mass230.13
IUPAC Name6-chlorohex-1-ynyl(triethyl)silane
SMILESCC[Si](C#CCCCCCl)(CC)CC
InChIInChI=1S/C12H23ClSi/c1-4-14(5-2,6-3)12-10-8-7-9-11-13/h4-9,11H2,1-3H3
InChIKeyARMJSRPYBVAIBZ-UHFFFAOYSA-N
XLogP4.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.85
LogP ≤ 54.45
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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Related Compounds

1-Chloro-5-(trimethylsilyl)-4-pentyne
CID 2757942
(6-Chlorohex-1-yn-1-yl)trimethylsilane
CID 13839479
4-Chlorobut-1-ynyl(trimethyl)silane
CID 11019170
8-Chlorooct-1-ynyl(trimethyl)silane
CID 14451681
(5-Chloropent-1-yn-1-yl)(triethyl)silane
CID 2757930
(3-Chloroprop-1-yn-1-yl)(triethyl)silane
CID 13162530
3-Chloroprop-1-ynyl-tri(propan-2-yl)silane
CID 86187348
(6-Chloro-1-triethylsilylhex-2-ynyl)-trimethylsilane
CID 166439280
8-Chloroocta-1,3-diynyl(trimethyl)silane
CID 176427253
(7-Chloro-1-heptyn-1-yl)trimethylsilane
CID 14451680
3-Chloropropyl-methyl-dipentylsilane
CID 12175489
1-Chlorohexyl(trimethyl)silane
CID 14026559

Frequently Asked Questions

What is the IUPAC name of 6-chlorohex-1-ynyl(triethyl)silane?
The IUPAC name of 6-chlorohex-1-ynyl(triethyl)silane (CID 102112680) is 6-chlorohex-1-ynyl(triethyl)silane.
What is the SMILES notation for 6-chlorohex-1-ynyl(triethyl)silane?
The canonical SMILES for 6-chlorohex-1-ynyl(triethyl)silane is CC[Si](C#CCCCCCl)(CC)CC.
What is the InChIKey of 6-chlorohex-1-ynyl(triethyl)silane?
The InChIKey is ARMJSRPYBVAIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23ClSi/c1-4-14(5-2,6-3)12-10-8-7-9-11-13/h4-9,11H2,1-3H3.
What are the key properties of 6-chlorohex-1-ynyl(triethyl)silane?
6-chlorohex-1-ynyl(triethyl)silane has a molecular weight of 230.85 g/mol, XLogP of 4.45, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chlorohex-1-ynyl(triethyl)silane is sourced from PubChem (CID 102112680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).