6-trimethylsilylhex-5-ynyl acetate

C11H20O2Si — CID 15214160

IUPAC6-trimethylsilylhex-5-ynyl acetate
SMILESCC(=O)OCCCCC#C[Si](C)(C)C
InChIInChI=1S/C11H20O2Si/c1-11(12)13-9-7-5-6-8-10-14(2,3)4/h5-7,9H2,1-4H3
InChIKeyUHIUSQVWJOYDFA-UHFFFAOYSA-N
MW212.36 g/mol
LogP2.60
Rot. Bonds4

About 6-trimethylsilylhex-5-ynyl acetate

6-trimethylsilylhex-5-ynyl acetate (PubChem CID 15214160) has the molecular formula C11H20O2Si and a molecular weight of 212.36 g/mol. Its IUPAC name is 6-trimethylsilylhex-5-ynyl acetate.

Molecular Properties

Compound Name6-trimethylsilylhex-5-ynyl acetate
PubChem CID15214160
Molecular FormulaC11H20O2Si
Molecular Weight212.36 g/mol
Exact Mass212.12
IUPAC Name6-trimethylsilylhex-5-ynyl acetate
SMILESCC(=O)OCCCCC#C[Si](C)(C)C
InChIInChI=1S/C11H20O2Si/c1-11(12)13-9-7-5-6-8-10-14(2,3)4/h5-7,9H2,1-4H3
InChIKeyUHIUSQVWJOYDFA-UHFFFAOYSA-N
XLogP2.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

Ethyl 3-(trimethylsilyl)propynoate
CID 568601
4-(Trimethyl-silyl)butyl acetate
CID 13549953
2-Heptynoic acid, 7-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, methyl ester
CID 11231036
5-Decynyl acetate
CID 15918016
Ethyl 5-tri(propan-2-yl)silyloxypent-2-ynoate
CID 10542121
(R)-4-Trimethylsilyl-3-butin-2-yl-acetat
CID 10997726
Ethyl 4-(trimethylsilyl)-3-butynoate
CID 11298356
Ethyl 5-[(tert-butyldimethylsilyl)oxy]pent-2-ynoate
CID 11455521
Methyl 6-[tert-butyl(dimethyl)silyl]oxyhex-2-ynoate
CID 11459539
Butyl 2-(trimethylsilyl)acetate
CID 15651272
4-Trimethylsilylbut-3-yn-2-yl acetate
CID 85361071
Ethyl 3-(triisopropylsilyl)propiolate
CID 86210757

Frequently Asked Questions

What is the IUPAC name of 6-trimethylsilylhex-5-ynyl acetate?
The IUPAC name of 6-trimethylsilylhex-5-ynyl acetate (CID 15214160) is 6-trimethylsilylhex-5-ynyl acetate.
What is the SMILES notation for 6-trimethylsilylhex-5-ynyl acetate?
The canonical SMILES for 6-trimethylsilylhex-5-ynyl acetate is CC(=O)OCCCCC#C[Si](C)(C)C.
What is the InChIKey of 6-trimethylsilylhex-5-ynyl acetate?
The InChIKey is UHIUSQVWJOYDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2Si/c1-11(12)13-9-7-5-6-8-10-14(2,3)4/h5-7,9H2,1-4H3.
What are the key properties of 6-trimethylsilylhex-5-ynyl acetate?
6-trimethylsilylhex-5-ynyl acetate has a molecular weight of 212.36 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-trimethylsilylhex-5-ynyl acetate is sourced from PubChem (CID 15214160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).