9-trimethylsilylnona-1,2-dien-8-yn-4-yl acetate

C14H22O2Si — CID 141310988

IUPAC9-trimethylsilylnona-1,2-dien-8-yn-4-yl acetate
SMILESC=C=CC(CCCC#C[Si](C)(C)C)OC(C)=O
InChIInChI=1S/C14H22O2Si/c1-6-10-14(16-13(2)15)11-8-7-9-12-17(3,4)5/h10,14H,1,7-8,11H2,2-5H3
InChIKeyNQAXFYBXWGRTNY-UHFFFAOYSA-N
MW250.41 g/mol
LogP3.31
Rot. Bonds5

About 9-trimethylsilylnona-1,2-dien-8-yn-4-yl acetate

9-trimethylsilylnona-1,2-dien-8-yn-4-yl acetate (PubChem CID 141310988) has the molecular formula C14H22O2Si and a molecular weight of 250.41 g/mol. Its IUPAC name is 9-trimethylsilylnona-1,2-dien-8-yn-4-yl acetate.

Molecular Properties

Compound Name9-trimethylsilylnona-1,2-dien-8-yn-4-yl acetate
PubChem CID141310988
Molecular FormulaC14H22O2Si
Molecular Weight250.41 g/mol
Exact Mass250.14
IUPAC Name9-trimethylsilylnona-1,2-dien-8-yn-4-yl acetate
SMILESC=C=CC(CCCC#C[Si](C)(C)C)OC(C)=O
InChIInChI=1S/C14H22O2Si/c1-6-10-14(16-13(2)15)11-8-7-9-12-17(3,4)5/h10,14H,1,7-8,11H2,2-5H3
InChIKeyNQAXFYBXWGRTNY-UHFFFAOYSA-N
XLogP3.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 53.31
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

[(3S)-1-trimethylsilylhept-6-en-1-yn-3-yl] acetate
CID 135023701
[(Z,3R)-1-iodo-1-triethylsilylhept-1-en-3-yl] acetate
CID 138977409
[(4R,6S)-6-acetyloxy-1-trimethylsilyloct-7-en-1-yn-4-yl] acetate
CID 139649640
[(4R,6R)-6-acetyloxy-1-trimethylsilyloct-7-en-1-yn-4-yl] acetate
CID 139649642
[(1R)-3-(2-trimethylsilylethynyl)cyclopent-2-en-1-yl] acetate
CID 142743686
[(1S)-3-(2-trimethylsilylethynyl)cyclopent-2-en-1-yl] acetate
CID 148868502
3-((Trimethylsilyl)ethynyl)cyclopent-2-en-1-yl acetate
CID 173851296
[(3S,4S)-3-acetyloxy-7-trimethylsilylhept-1-en-6-yn-4-yl] acetate
CID 10564867
(5S)-5-(7-trimethylsilylhepta-1,2-dien-4,6-diynyl)oxolan-2-one
CID 45112520
(5R)-5-(7-trimethylsilylhepta-1,2-dien-4,6-diynyl)oxolan-2-one
CID 45113848
[(4S)-4-acetyloxy-11-trimethylsilylundeca-5,6-dien-8,10-diynyl] acetate
CID 45113979
[(E)-1-triethylsilylhept-1-en-3-yl] acetate
CID 101544363

Frequently Asked Questions

What is the IUPAC name of 9-trimethylsilylnona-1,2-dien-8-yn-4-yl acetate?
The IUPAC name of 9-trimethylsilylnona-1,2-dien-8-yn-4-yl acetate (CID 141310988) is 9-trimethylsilylnona-1,2-dien-8-yn-4-yl acetate.
What is the SMILES notation for 9-trimethylsilylnona-1,2-dien-8-yn-4-yl acetate?
The canonical SMILES for 9-trimethylsilylnona-1,2-dien-8-yn-4-yl acetate is C=C=CC(CCCC#C[Si](C)(C)C)OC(C)=O.
What is the InChIKey of 9-trimethylsilylnona-1,2-dien-8-yn-4-yl acetate?
The InChIKey is NQAXFYBXWGRTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2Si/c1-6-10-14(16-13(2)15)11-8-7-9-12-17(3,4)5/h10,14H,1,7-8,11H2,2-5H3.
What are the key properties of 9-trimethylsilylnona-1,2-dien-8-yn-4-yl acetate?
9-trimethylsilylnona-1,2-dien-8-yn-4-yl acetate has a molecular weight of 250.41 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-trimethylsilylnona-1,2-dien-8-yn-4-yl acetate is sourced from PubChem (CID 141310988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).