(5S)-5-(7-trimethylsilylhepta-1,2-dien-4,6-diynyl)oxolan-2-one

C14H16O2Si — CID 45112520

IUPAC(5S)-5-(7-trimethylsilylhepta-1,2-dien-4,6-diynyl)oxolan-2-one
SMILESC[Si](C)(C)C#CC#CC=C=C[C@@H]1CCC(=O)O1
InChIInChI=1S/C14H16O2Si/c1-17(2,3)12-8-6-4-5-7-9-13-10-11-14(15)16-13/h5,9,13H,10-11H2,1-3H3/t7?,13-/m1/s1
InChIKeyFUKGBELQLNLELR-URRWNQLISA-N
MW244.37 g/mol
LogP2.29
Rot. Bonds1

About (5S)-5-(7-trimethylsilylhepta-1,2-dien-4,6-diynyl)oxolan-2-one

(5S)-5-(7-trimethylsilylhepta-1,2-dien-4,6-diynyl)oxolan-2-one (PubChem CID 45112520) has the molecular formula C14H16O2Si and a molecular weight of 244.37 g/mol. Its IUPAC name is (5S)-5-(7-trimethylsilylhepta-1,2-dien-4,6-diynyl)oxolan-2-one.

Molecular Properties

Compound Name(5S)-5-(7-trimethylsilylhepta-1,2-dien-4,6-diynyl)oxolan-2-one
PubChem CID45112520
Molecular FormulaC14H16O2Si
Molecular Weight244.37 g/mol
Exact Mass244.09
IUPAC Name(5S)-5-(7-trimethylsilylhepta-1,2-dien-4,6-diynyl)oxolan-2-one
SMILESC[Si](C)(C)C#CC#CC=C=C[C@@H]1CCC(=O)O1
InChIInChI=1S/C14H16O2Si/c1-17(2,3)12-8-6-4-5-7-9-13-10-11-14(15)16-13/h5,9,13H,10-11H2,1-3H3/t7?,13-/m1/s1
InChIKeyFUKGBELQLNLELR-URRWNQLISA-N
XLogP2.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.37
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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
Odyssin
CID 12313690
(5R)-5-(7-trimethylsilylhepta-1,2-dien-4,6-diynyl)oxolan-2-one
CID 45113848
(5S)-5-(3-bromo-3-trimethylsilylpropa-1,2-dienyl)oxolan-2-one
CID 102481237
5-[1-[Tert-butyl(dimethyl)silyl]ethenyl]oxolan-2-one
CID 177256892

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(7-trimethylsilylhepta-1,2-dien-4,6-diynyl)oxolan-2-one?
The IUPAC name of (5S)-5-(7-trimethylsilylhepta-1,2-dien-4,6-diynyl)oxolan-2-one (CID 45112520) is (5S)-5-(7-trimethylsilylhepta-1,2-dien-4,6-diynyl)oxolan-2-one.
What is the SMILES notation for (5S)-5-(7-trimethylsilylhepta-1,2-dien-4,6-diynyl)oxolan-2-one?
The canonical SMILES for (5S)-5-(7-trimethylsilylhepta-1,2-dien-4,6-diynyl)oxolan-2-one is C[Si](C)(C)C#CC#CC=C=C[C@@H]1CCC(=O)O1.
What is the InChIKey of (5S)-5-(7-trimethylsilylhepta-1,2-dien-4,6-diynyl)oxolan-2-one?
The InChIKey is FUKGBELQLNLELR-URRWNQLISA-N. The full InChI is InChI=1S/C14H16O2Si/c1-17(2,3)12-8-6-4-5-7-9-13-10-11-14(15)16-13/h5,9,13H,10-11H2,1-3H3/t7?,13-/m1/s1.
What are the key properties of (5S)-5-(7-trimethylsilylhepta-1,2-dien-4,6-diynyl)oxolan-2-one?
(5S)-5-(7-trimethylsilylhepta-1,2-dien-4,6-diynyl)oxolan-2-one has a molecular weight of 244.37 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(7-trimethylsilylhepta-1,2-dien-4,6-diynyl)oxolan-2-one is sourced from PubChem (CID 45112520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).