trimethyl-[3-[(3S)-non-1-en-3-yl]oxyhept-6-en-1-ynyl]silane

C19H34OSi — CID 135022785

IUPACtrimethyl-[3-[(3S)-non-1-en-3-yl]oxyhept-6-en-1-ynyl]silane
SMILESC=CCCC(C#C[Si](C)(C)C)O[C@H](C=C)CCCCCC
InChIInChI=1S/C19H34OSi/c1-7-10-12-13-15-18(9-3)20-19(14-11-8-2)16-17-21(4,5)6/h8-9,18-19H,2-3,7,10-15H2,1,4-6H3/t18-,19?/m1/s1
InChIKeyVSILNNCGUZGMDT-MRTLOADZSA-N
MW306.57 g/mol
LogP5.74
Rot. Bonds11

About trimethyl-[3-[(3S)-non-1-en-3-yl]oxyhept-6-en-1-ynyl]silane

trimethyl-[3-[(3S)-non-1-en-3-yl]oxyhept-6-en-1-ynyl]silane (PubChem CID 135022785) has the molecular formula C19H34OSi and a molecular weight of 306.57 g/mol. Its IUPAC name is trimethyl-[3-[(3S)-non-1-en-3-yl]oxyhept-6-en-1-ynyl]silane.

Molecular Properties

Compound Nametrimethyl-[3-[(3S)-non-1-en-3-yl]oxyhept-6-en-1-ynyl]silane
PubChem CID135022785
Molecular FormulaC19H34OSi
Molecular Weight306.57 g/mol
Exact Mass306.24
IUPAC Nametrimethyl-[3-[(3S)-non-1-en-3-yl]oxyhept-6-en-1-ynyl]silane
SMILESC=CCCC(C#C[Si](C)(C)C)O[C@H](C=C)CCCCCC
InChIInChI=1S/C19H34OSi/c1-7-10-12-13-15-18(9-3)20-19(14-11-8-2)16-17-21(4,5)6/h8-9,18-19H,2-3,7,10-15H2,1,4-6H3/t18-,19?/m1/s1
InChIKeyVSILNNCGUZGMDT-MRTLOADZSA-N
XLogP5.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.57
LogP ≤ 55.74
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

(((R)-8-((2R,3S)-3-Heptyloxiran-2-yl)octa-1-en-4,6-diyn-3-yl)oxy)trimethylsilane
CID 91696748
(3S)-3-oct-7-en-4-yn-3-yloxynon-1-ene
CID 11627971
2-[(2S,5Z,8S)-8-hexyl-3,4,7,8-tetrahydro-2H-oxocin-2-yl]ethynyl-trimethylsilane
CID 49782438
[(E)-2-(5-dodecyloxolan-2-yl)ethenyl]-triethylsilane
CID 101544371
2-[(7S)-7-hexyl-2,3,4,7-tetrahydrooxepin-2-yl]ethynyl-trimethylsilane
CID 135022516
3-[(4S)-dec-1-en-4-yl]oxyhept-6-en-1-ynyl-trimethylsilane
CID 135022517
Trimethyl(3-non-1-en-5-yloxyhept-6-en-1-ynyl)silane
CID 135022876
3-Pent-2-ynoxydec-1-ene
CID 135040882
2-[(5Z,8S)-8-hexyl-3,4,7,8-tetrahydro-2H-oxocin-2-yl]ethynyl-trimethylsilane
CID 135042235
3-[(2R,5S)-5-but-3-enyloxolan-2-yl]prop-1-ynyl-tri(propan-2-yl)silane
CID 162412726
8-Dec-1-en-3-yloxydecyl(trimethoxy)silane
CID 173930308
trimethyl-[(E)-2-[(2R,3R)-3-nonyloxiran-2-yl]ethenyl]silane
CID 11437114

Frequently Asked Questions

What is the IUPAC name of trimethyl-[3-[(3S)-non-1-en-3-yl]oxyhept-6-en-1-ynyl]silane?
The IUPAC name of trimethyl-[3-[(3S)-non-1-en-3-yl]oxyhept-6-en-1-ynyl]silane (CID 135022785) is trimethyl-[3-[(3S)-non-1-en-3-yl]oxyhept-6-en-1-ynyl]silane.
What is the SMILES notation for trimethyl-[3-[(3S)-non-1-en-3-yl]oxyhept-6-en-1-ynyl]silane?
The canonical SMILES for trimethyl-[3-[(3S)-non-1-en-3-yl]oxyhept-6-en-1-ynyl]silane is C=CCCC(C#C[Si](C)(C)C)O[C@H](C=C)CCCCCC.
What is the InChIKey of trimethyl-[3-[(3S)-non-1-en-3-yl]oxyhept-6-en-1-ynyl]silane?
The InChIKey is VSILNNCGUZGMDT-MRTLOADZSA-N. The full InChI is InChI=1S/C19H34OSi/c1-7-10-12-13-15-18(9-3)20-19(14-11-8-2)16-17-21(4,5)6/h8-9,18-19H,2-3,7,10-15H2,1,4-6H3/t18-,19?/m1/s1.
What are the key properties of trimethyl-[3-[(3S)-non-1-en-3-yl]oxyhept-6-en-1-ynyl]silane?
trimethyl-[3-[(3S)-non-1-en-3-yl]oxyhept-6-en-1-ynyl]silane has a molecular weight of 306.57 g/mol, XLogP of 5.74, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[3-[(3S)-non-1-en-3-yl]oxyhept-6-en-1-ynyl]silane is sourced from PubChem (CID 135022785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).