3-[(4S)-dec-1-en-4-yl]oxyhept-6-en-1-ynyl-trimethylsilane

C20H36OSi — CID 135022517

IUPAC3-[(4S)-dec-1-en-4-yl]oxyhept-6-en-1-ynyl-trimethylsilane
SMILESC=CCCC(C#C[Si](C)(C)C)O[C@H](CC=C)CCCCCC
InChIInChI=1S/C20H36OSi/c1-7-10-12-13-16-19(14-9-3)21-20(15-11-8-2)17-18-22(4,5)6/h8-9,19-20H,2-3,7,10-16H2,1,4-6H3/t19-,20?/m1/s1
InChIKeyMNTKBEWPIJXHBM-FIWHBWSRSA-N
MW320.59 g/mol
LogP6.13
Rot. Bonds12

About 3-[(4S)-dec-1-en-4-yl]oxyhept-6-en-1-ynyl-trimethylsilane

3-[(4S)-dec-1-en-4-yl]oxyhept-6-en-1-ynyl-trimethylsilane (PubChem CID 135022517) has the molecular formula C20H36OSi and a molecular weight of 320.59 g/mol. Its IUPAC name is 3-[(4S)-dec-1-en-4-yl]oxyhept-6-en-1-ynyl-trimethylsilane.

Molecular Properties

Compound Name3-[(4S)-dec-1-en-4-yl]oxyhept-6-en-1-ynyl-trimethylsilane
PubChem CID135022517
Molecular FormulaC20H36OSi
Molecular Weight320.59 g/mol
Exact Mass320.25
IUPAC Name3-[(4S)-dec-1-en-4-yl]oxyhept-6-en-1-ynyl-trimethylsilane
SMILESC=CCCC(C#C[Si](C)(C)C)O[C@H](CC=C)CCCCCC
InChIInChI=1S/C20H36OSi/c1-7-10-12-13-16-19(14-9-3)21-20(15-11-8-2)17-18-22(4,5)6/h8-9,19-20H,2-3,7,10-16H2,1,4-6H3/t19-,20?/m1/s1
InChIKeyMNTKBEWPIJXHBM-FIWHBWSRSA-N
XLogP6.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.59
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-dimethyl-[(4R)-undec-1-en-4-yl]oxysilane
CID 10850655
tert-butyl-[(E)-henicos-8-en-6-yn-11-yl]oxy-dimethylsilane
CID 11247187
2-[(2S,5Z,8S)-8-hexyl-3,4,7,8-tetrahydro-2H-oxocin-2-yl]ethynyl-trimethylsilane
CID 49782438
trimethyl-[3-[(3S)-non-1-en-3-yl]oxyhept-6-en-1-ynyl]silane
CID 135022785
Trimethyl(3-non-1-en-5-yloxyhept-6-en-1-ynyl)silane
CID 135022876
tert-butyl-dimethyl-[(4S)-undec-1-en-4-yl]oxysilane
CID 135038122
2-[(5Z,8S)-8-hexyl-3,4,7,8-tetrahydro-2H-oxocin-2-yl]ethynyl-trimethylsilane
CID 135042235
tert-butyl-dimethyl-[(4S)-pentadec-1-en-14-yn-4-yl]oxysilane
CID 139251427
Tert-butyl-dimethyl-(5-methylidenedec-9-en-1-yn-3-yloxy)silane
CID 139252758
3-[(2R,5S)-5-but-3-enyloxolan-2-yl]prop-1-ynyl-tri(propan-2-yl)silane
CID 162412726
fluoro-dimethyl-[(1S)-1-[(4S)-non-1-en-4-yl]oxyhexyl]silane
CID 10804359
Tert-butyl-dec-1-en-4-yloxy-dimethylsilane
CID 10825949

Frequently Asked Questions

What is the IUPAC name of 3-[(4S)-dec-1-en-4-yl]oxyhept-6-en-1-ynyl-trimethylsilane?
The IUPAC name of 3-[(4S)-dec-1-en-4-yl]oxyhept-6-en-1-ynyl-trimethylsilane (CID 135022517) is 3-[(4S)-dec-1-en-4-yl]oxyhept-6-en-1-ynyl-trimethylsilane.
What is the SMILES notation for 3-[(4S)-dec-1-en-4-yl]oxyhept-6-en-1-ynyl-trimethylsilane?
The canonical SMILES for 3-[(4S)-dec-1-en-4-yl]oxyhept-6-en-1-ynyl-trimethylsilane is C=CCCC(C#C[Si](C)(C)C)O[C@H](CC=C)CCCCCC.
What is the InChIKey of 3-[(4S)-dec-1-en-4-yl]oxyhept-6-en-1-ynyl-trimethylsilane?
The InChIKey is MNTKBEWPIJXHBM-FIWHBWSRSA-N. The full InChI is InChI=1S/C20H36OSi/c1-7-10-12-13-16-19(14-9-3)21-20(15-11-8-2)17-18-22(4,5)6/h8-9,19-20H,2-3,7,10-16H2,1,4-6H3/t19-,20?/m1/s1.
What are the key properties of 3-[(4S)-dec-1-en-4-yl]oxyhept-6-en-1-ynyl-trimethylsilane?
3-[(4S)-dec-1-en-4-yl]oxyhept-6-en-1-ynyl-trimethylsilane has a molecular weight of 320.59 g/mol, XLogP of 6.13, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4S)-dec-1-en-4-yl]oxyhept-6-en-1-ynyl-trimethylsilane is sourced from PubChem (CID 135022517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).