tert-butyl-dimethyl-[(3Z,5S,7Z,10Z)-trideca-3,7,10-trien-1-yn-5-yl]oxysilane

C19H32OSi — CID 122386867

IUPACtert-butyl-dimethyl-[(3Z,5S,7Z,10Z)-trideca-3,7,10-trien-1-yn-5-yl]oxysilane
SMILESC#C/C=C\[C@H](C/C=C\C/C=C\CC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H32OSi/c1-8-10-12-13-14-15-17-18(16-11-9-2)20-21(6,7)19(3,4)5/h2,10-12,14-16,18H,8,13,17H2,1,3-7H3/b12-10-,15-14-,16-11-/t18-/m1/s1
InChIKeyTXFPGFHCXQKMDJ-UFSTXDTCSA-N
MW304.55 g/mol
LogP5.87
Rot. Bonds8

About tert-butyl-dimethyl-[(3Z,5S,7Z,10Z)-trideca-3,7,10-trien-1-yn-5-yl]oxysilane

tert-butyl-dimethyl-[(3Z,5S,7Z,10Z)-trideca-3,7,10-trien-1-yn-5-yl]oxysilane (PubChem CID 122386867) has the molecular formula C19H32OSi and a molecular weight of 304.55 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(3Z,5S,7Z,10Z)-trideca-3,7,10-trien-1-yn-5-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(3Z,5S,7Z,10Z)-trideca-3,7,10-trien-1-yn-5-yl]oxysilane
PubChem CID122386867
Molecular FormulaC19H32OSi
Molecular Weight304.55 g/mol
Exact Mass304.22
IUPAC Nametert-butyl-dimethyl-[(3Z,5S,7Z,10Z)-trideca-3,7,10-trien-1-yn-5-yl]oxysilane
SMILESC#C/C=C\[C@H](C/C=C\C/C=C\CC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H32OSi/c1-8-10-12-13-14-15-17-18(16-11-9-2)20-21(6,7)19(3,4)5/h2,10-12,14-16,18H,8,13,17H2,1,3-7H3/b12-10-,15-14-,16-11-/t18-/m1/s1
InChIKeyTXFPGFHCXQKMDJ-UFSTXDTCSA-N
XLogP5.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.55
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze tert-butyl-dimethyl-[(3Z,5S,7Z,10Z)-trideca-3,7,10-trien-1-yn-5-yl]oxysilane with MolForge

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Related Compounds

1,8-cis-Undecadien-5-yne 3,7-bis-trimethylsilyl ether
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tert-butyl-[(2E,6E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylocta-2,6-dienoxy]-dimethylsilane
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2-Triisobutylsilyloxyoct-3-ene
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2-Trihexylsilyloxyoct-3-ene
CID 5353195
2-Tributylsilyloxyoct-3-ene
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tert-butyl-dimethyl-[(3S,4Z)-nona-4,8-dien-3-yl]oxysilane
CID 11379815
ethynyl-[(3R,4E)-4-methylhexa-1,4-dien-3-yl]oxy-di(propan-2-yl)silane
CID 11651729
[(3S,4R,5E)-2,3-dimethylocta-1,5-dien-7-yn-4-yl]oxy-tri(propan-2-yl)silane
CID 11771207
tert-butyl-[(3Z,5S,7Z)-deca-3,7-dien-1-yn-5-yl]oxy-dimethylsilane
CID 53359090
Tert-butyl-dimethyl-(5-methylhex-4-en-1-yn-3-yloxy)silane
CID 57332464

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(3Z,5S,7Z,10Z)-trideca-3,7,10-trien-1-yn-5-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(3Z,5S,7Z,10Z)-trideca-3,7,10-trien-1-yn-5-yl]oxysilane (CID 122386867) is tert-butyl-dimethyl-[(3Z,5S,7Z,10Z)-trideca-3,7,10-trien-1-yn-5-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(3Z,5S,7Z,10Z)-trideca-3,7,10-trien-1-yn-5-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(3Z,5S,7Z,10Z)-trideca-3,7,10-trien-1-yn-5-yl]oxysilane is C#C/C=C\[C@H](C/C=C\C/C=C\CC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(3Z,5S,7Z,10Z)-trideca-3,7,10-trien-1-yn-5-yl]oxysilane?
The InChIKey is TXFPGFHCXQKMDJ-UFSTXDTCSA-N. The full InChI is InChI=1S/C19H32OSi/c1-8-10-12-13-14-15-17-18(16-11-9-2)20-21(6,7)19(3,4)5/h2,10-12,14-16,18H,8,13,17H2,1,3-7H3/b12-10-,15-14-,16-11-/t18-/m1/s1.
What are the key properties of tert-butyl-dimethyl-[(3Z,5S,7Z,10Z)-trideca-3,7,10-trien-1-yn-5-yl]oxysilane?
tert-butyl-dimethyl-[(3Z,5S,7Z,10Z)-trideca-3,7,10-trien-1-yn-5-yl]oxysilane has a molecular weight of 304.55 g/mol, XLogP of 5.87, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(3Z,5S,7Z,10Z)-trideca-3,7,10-trien-1-yn-5-yl]oxysilane is sourced from PubChem (CID 122386867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).