(6-chloro-1-triethylsilylhex-2-ynyl)-trimethylsilane

C15H31ClSi2 — CID 166439280

IUPAC(6-chloro-1-triethylsilylhex-2-ynyl)-trimethylsilane
SMILESCC[Si](CC)(CC)C(C#CCCCCl)[Si](C)(C)C
InChIInChI=1S/C15H31ClSi2/c1-7-18(8-2,9-3)15(17(4,5)6)13-11-10-12-14-16/h15H,7-10,12,14H2,1-6H3
InChIKeyKIUDZXNKYREGPN-UHFFFAOYSA-N
MW303.04 g/mol
LogP5.76
Rot. Bonds7

About (6-chloro-1-triethylsilylhex-2-ynyl)-trimethylsilane

(6-chloro-1-triethylsilylhex-2-ynyl)-trimethylsilane (PubChem CID 166439280) has the molecular formula C15H31ClSi2 and a molecular weight of 303.04 g/mol. Its IUPAC name is (6-chloro-1-triethylsilylhex-2-ynyl)-trimethylsilane.

Molecular Properties

Compound Name(6-chloro-1-triethylsilylhex-2-ynyl)-trimethylsilane
PubChem CID166439280
Molecular FormulaC15H31ClSi2
Molecular Weight303.04 g/mol
Exact Mass302.17
IUPAC Name(6-chloro-1-triethylsilylhex-2-ynyl)-trimethylsilane
SMILESCC[Si](CC)(CC)C(C#CCCCCl)[Si](C)(C)C
InChIInChI=1S/C15H31ClSi2/c1-7-18(8-2,9-3)15(17(4,5)6)13-11-10-12-14-16/h15H,7-10,12,14H2,1-6H3
InChIKeyKIUDZXNKYREGPN-UHFFFAOYSA-N
XLogP5.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.04
LogP ≤ 55.76
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
6-Chlorohex-1-ynyl(triethyl)silane
CID 102112680
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
gamma-Chloropropyldi(trimethylsilylmethyl)methylsilane
CID 129852031
8-Chloroocta-1,3-diynyl(trimethyl)silane
CID 176427253
(7-Chloro-1-heptyn-1-yl)trimethylsilane
CID 14451680
(6-Chloro-1-hexyn-1-yl)tris(1-methylethyl)silane
CID 86039227

Frequently Asked Questions

What is the IUPAC name of (6-chloro-1-triethylsilylhex-2-ynyl)-trimethylsilane?
The IUPAC name of (6-chloro-1-triethylsilylhex-2-ynyl)-trimethylsilane (CID 166439280) is (6-chloro-1-triethylsilylhex-2-ynyl)-trimethylsilane.
What is the SMILES notation for (6-chloro-1-triethylsilylhex-2-ynyl)-trimethylsilane?
The canonical SMILES for (6-chloro-1-triethylsilylhex-2-ynyl)-trimethylsilane is CC[Si](CC)(CC)C(C#CCCCCl)[Si](C)(C)C.
What is the InChIKey of (6-chloro-1-triethylsilylhex-2-ynyl)-trimethylsilane?
The InChIKey is KIUDZXNKYREGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31ClSi2/c1-7-18(8-2,9-3)15(17(4,5)6)13-11-10-12-14-16/h15H,7-10,12,14H2,1-6H3.
What are the key properties of (6-chloro-1-triethylsilylhex-2-ynyl)-trimethylsilane?
(6-chloro-1-triethylsilylhex-2-ynyl)-trimethylsilane has a molecular weight of 303.04 g/mol, XLogP of 5.76, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-1-triethylsilylhex-2-ynyl)-trimethylsilane is sourced from PubChem (CID 166439280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).