(3-chloro-5-triethylsilylpenta-1,4-diynyl)-triethylsilane

C17H31ClSi2 — CID 44606246

IUPAC(3-chloro-5-triethylsilylpenta-1,4-diynyl)-triethylsilane
SMILESCC[Si](C#CC(Cl)C#C[Si](CC)(CC)CC)(CC)CC
InChIInChI=1S/C17H31ClSi2/c1-7-19(8-2,9-3)15-13-17(18)14-16-20(10-4,11-5)12-6/h17H,7-12H2,1-6H3
InChIKeyHCERDTWEHTVXJV-UHFFFAOYSA-N
MW327.06 g/mol
LogP5.70
Rot. Bonds6

About (3-chloro-5-triethylsilylpenta-1,4-diynyl)-triethylsilane

(3-chloro-5-triethylsilylpenta-1,4-diynyl)-triethylsilane (PubChem CID 44606246) has the molecular formula C17H31ClSi2 and a molecular weight of 327.06 g/mol. Its IUPAC name is (3-chloro-5-triethylsilylpenta-1,4-diynyl)-triethylsilane.

Molecular Properties

Compound Name(3-chloro-5-triethylsilylpenta-1,4-diynyl)-triethylsilane
PubChem CID44606246
Molecular FormulaC17H31ClSi2
Molecular Weight327.06 g/mol
Exact Mass326.17
IUPAC Name(3-chloro-5-triethylsilylpenta-1,4-diynyl)-triethylsilane
SMILESCC[Si](C#CC(Cl)C#C[Si](CC)(CC)CC)(CC)CC
InChIInChI=1S/C17H31ClSi2/c1-7-19(8-2,9-3)15-13-17(18)14-16-20(10-4,11-5)12-6/h17H,7-12H2,1-6H3
InChIKeyHCERDTWEHTVXJV-UHFFFAOYSA-N
XLogP5.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.06
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'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

(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
1,2-Bis-(3-chloro-prop-1-ynyl)-1,1,2,2-tetramethyl-disilane
CID 10659211
1-Chloroprop-2-ynyl-tri(propan-2-yl)silane
CID 140111668
1-Chloroprop-2-ynyl(triethyl)silane
CID 140111772
1-Chloroprop-2-ynyl(tripropyl)silane
CID 140111816
4-Chloropent-1-ynyl(trimethyl)silane
CID 141707053
4-Chloropent-2-ynyl(trimethyl)silane
CID 13612075
3-Chloroprop-1-ynyl-[[3-chloroprop-1-ynyl(dimethyl)silyl]methyl]-dimethylsilane
CID 15436159
3-Chloroprop-1-ynyl-[2-[3-chloroprop-1-ynyl(dimethyl)silyl]ethyl]-dimethylsilane
CID 15436160

Frequently Asked Questions

What is the IUPAC name of (3-chloro-5-triethylsilylpenta-1,4-diynyl)-triethylsilane?
The IUPAC name of (3-chloro-5-triethylsilylpenta-1,4-diynyl)-triethylsilane (CID 44606246) is (3-chloro-5-triethylsilylpenta-1,4-diynyl)-triethylsilane.
What is the SMILES notation for (3-chloro-5-triethylsilylpenta-1,4-diynyl)-triethylsilane?
The canonical SMILES for (3-chloro-5-triethylsilylpenta-1,4-diynyl)-triethylsilane is CC[Si](C#CC(Cl)C#C[Si](CC)(CC)CC)(CC)CC.
What is the InChIKey of (3-chloro-5-triethylsilylpenta-1,4-diynyl)-triethylsilane?
The InChIKey is HCERDTWEHTVXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31ClSi2/c1-7-19(8-2,9-3)15-13-17(18)14-16-20(10-4,11-5)12-6/h17H,7-12H2,1-6H3.
What are the key properties of (3-chloro-5-triethylsilylpenta-1,4-diynyl)-triethylsilane?
(3-chloro-5-triethylsilylpenta-1,4-diynyl)-triethylsilane has a molecular weight of 327.06 g/mol, XLogP of 5.70, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-5-triethylsilylpenta-1,4-diynyl)-triethylsilane is sourced from PubChem (CID 44606246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).