[(4S)-4-acetyloxy-11-trimethylsilylundeca-5,6-dien-8,10-diynyl] acetate

C18H24O4Si — CID 45113979

IUPAC[(4S)-4-acetyloxy-11-trimethylsilylundeca-5,6-dien-8,10-diynyl] acetate
SMILESCC(=O)OCCC[C@@H](C=C=CC#CC#C[Si](C)(C)C)OC(C)=O
InChIInChI=1S/C18H24O4Si/c1-16(19)21-14-11-13-18(22-17(2)20)12-9-7-6-8-10-15-23(3,4)5/h7,12,18H,11,13-14H2,1-5H3/t9?,18-/m1/s1
InChIKeyYJWAFLPTGSSEPD-ROGCICSOSA-N
MW332.47 g/mol
LogP2.86
Rot. Bonds6

About [(4S)-4-acetyloxy-11-trimethylsilylundeca-5,6-dien-8,10-diynyl] acetate

[(4S)-4-acetyloxy-11-trimethylsilylundeca-5,6-dien-8,10-diynyl] acetate (PubChem CID 45113979) has the molecular formula C18H24O4Si and a molecular weight of 332.47 g/mol. Its IUPAC name is [(4S)-4-acetyloxy-11-trimethylsilylundeca-5,6-dien-8,10-diynyl] acetate.

Molecular Properties

Compound Name[(4S)-4-acetyloxy-11-trimethylsilylundeca-5,6-dien-8,10-diynyl] acetate
PubChem CID45113979
Molecular FormulaC18H24O4Si
Molecular Weight332.47 g/mol
Exact Mass332.14
IUPAC Name[(4S)-4-acetyloxy-11-trimethylsilylundeca-5,6-dien-8,10-diynyl] acetate
SMILESCC(=O)OCCC[C@@H](C=C=CC#CC#C[Si](C)(C)C)OC(C)=O
InChIInChI=1S/C18H24O4Si/c1-16(19)21-14-11-13-18(22-17(2)20)12-9-7-6-8-10-15-23(3,4)5/h7,12,18H,11,13-14H2,1-5H3/t9?,18-/m1/s1
InChIKeyYJWAFLPTGSSEPD-ROGCICSOSA-N
XLogP2.86
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

9-Trimethylsilylnona-1,2-dien-8-yn-4-yl acetate
CID 141310988
[(Z)-1-tributylstannyl-1-trimethylsilylhex-1-en-3-yl] acetate
CID 135007439
[(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
[(3S)-6-[tert-butyl(dimethyl)silyl]oxyocta-1,7-dien-3-yl] acetate
CID 25214793

Frequently Asked Questions

What is the IUPAC name of [(4S)-4-acetyloxy-11-trimethylsilylundeca-5,6-dien-8,10-diynyl] acetate?
The IUPAC name of [(4S)-4-acetyloxy-11-trimethylsilylundeca-5,6-dien-8,10-diynyl] acetate (CID 45113979) is [(4S)-4-acetyloxy-11-trimethylsilylundeca-5,6-dien-8,10-diynyl] acetate.
What is the SMILES notation for [(4S)-4-acetyloxy-11-trimethylsilylundeca-5,6-dien-8,10-diynyl] acetate?
The canonical SMILES for [(4S)-4-acetyloxy-11-trimethylsilylundeca-5,6-dien-8,10-diynyl] acetate is CC(=O)OCCC[C@@H](C=C=CC#CC#C[Si](C)(C)C)OC(C)=O.
What is the InChIKey of [(4S)-4-acetyloxy-11-trimethylsilylundeca-5,6-dien-8,10-diynyl] acetate?
The InChIKey is YJWAFLPTGSSEPD-ROGCICSOSA-N. The full InChI is InChI=1S/C18H24O4Si/c1-16(19)21-14-11-13-18(22-17(2)20)12-9-7-6-8-10-15-23(3,4)5/h7,12,18H,11,13-14H2,1-5H3/t9?,18-/m1/s1.
What are the key properties of [(4S)-4-acetyloxy-11-trimethylsilylundeca-5,6-dien-8,10-diynyl] acetate?
[(4S)-4-acetyloxy-11-trimethylsilylundeca-5,6-dien-8,10-diynyl] acetate has a molecular weight of 332.47 g/mol, XLogP of 2.86, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-4-acetyloxy-11-trimethylsilylundeca-5,6-dien-8,10-diynyl] acetate is sourced from PubChem (CID 45113979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).