5-trimethylsilylpent-4-ynyl acetate

C10H18O2Si — CID 15214170

IUPAC5-trimethylsilylpent-4-ynyl acetate
SMILESCC(=O)OCCCC#C[Si](C)(C)C
InChIInChI=1S/C10H18O2Si/c1-10(11)12-8-6-5-7-9-13(2,3)4/h5-6,8H2,1-4H3
InChIKeyCFQZDYRLCVDFER-UHFFFAOYSA-N
MW198.34 g/mol
LogP2.21
Rot. Bonds3

About 5-trimethylsilylpent-4-ynyl acetate

5-trimethylsilylpent-4-ynyl acetate (PubChem CID 15214170) has the molecular formula C10H18O2Si and a molecular weight of 198.34 g/mol. Its IUPAC name is 5-trimethylsilylpent-4-ynyl acetate.

Molecular Properties

Compound Name5-trimethylsilylpent-4-ynyl acetate
PubChem CID15214170
Molecular FormulaC10H18O2Si
Molecular Weight198.34 g/mol
Exact Mass198.11
IUPAC Name5-trimethylsilylpent-4-ynyl acetate
SMILESCC(=O)OCCCC#C[Si](C)(C)C
InChIInChI=1S/C10H18O2Si/c1-10(11)12-8-6-5-7-9-13(2,3)4/h5-6,8H2,1-4H3
InChIKeyCFQZDYRLCVDFER-UHFFFAOYSA-N
XLogP2.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.34
LogP ≤ 52.21
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'}

Analyze 5-trimethylsilylpent-4-ynyl acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethyl 3-(trimethylsilyl)propionate
CID 262852
Ethyl 3-(trimethylsilyl)propynoate
CID 568601
Methyl 4-((tert-butyldimethylsilyl)oxy)but-2-ynoate
CID 11117822
1-Propanol, 3-(trimethylsilyl)-, 1-acetate
CID 87619
Ethyl 3-(trimethylsilyl)propionate-2,2,3,3-d4
CID 16212916
4-(Trimethyl-silyl)butyl acetate
CID 13549953
2-Heptynoic acid, 7-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, methyl ester
CID 11231036
4-(3-Trimethylsilylprop-2-ynoxy)but-2-ynoic acid
CID 86097791
Ethyl 2-(trimethylsilyl)propanoate
CID 268025
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

Frequently Asked Questions

What is the IUPAC name of 5-trimethylsilylpent-4-ynyl acetate?
The IUPAC name of 5-trimethylsilylpent-4-ynyl acetate (CID 15214170) is 5-trimethylsilylpent-4-ynyl acetate.
What is the SMILES notation for 5-trimethylsilylpent-4-ynyl acetate?
The canonical SMILES for 5-trimethylsilylpent-4-ynyl acetate is CC(=O)OCCCC#C[Si](C)(C)C.
What is the InChIKey of 5-trimethylsilylpent-4-ynyl acetate?
The InChIKey is CFQZDYRLCVDFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2Si/c1-10(11)12-8-6-5-7-9-13(2,3)4/h5-6,8H2,1-4H3.
What are the key properties of 5-trimethylsilylpent-4-ynyl acetate?
5-trimethylsilylpent-4-ynyl acetate has a molecular weight of 198.34 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-trimethylsilylpent-4-ynyl acetate is sourced from PubChem (CID 15214170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).